psnGPCR

Code	CAU
Name	(S)-carazolol
Synonyms	(S)-Carazolol
Identifier	(2S)-1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Formula	C18 H22 N2 O2
Molecular Weight	298.379
SMILES	CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O
PubChem	13023332
Formal Charge	0
Total Atoms	44
Total Chiral Atoms	1
Total Bonds	46
Total Aromatic Bonds	15
Networks	10

This ligand is also present in the following 10 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

2RH1

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

2.4

2007-10-30

10.1126/science.1150577

A 2D representation of the interactions of CAU in 2RH1
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	4.56	0	Yes	No	7	7	2	2
R:R:M82	R:R:Y316	5.99	0	Yes	Yes	7	6	2	1
R:R:D113	R:R:V86	7.3	1	No	No	7	7	1	2
R:R:F193	R:R:T110	5.19	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	10.34	1	No	Yes	7	6	1	1
L:L:?3	R:R:D113	18.28	1	Yes	No	0	7	0	1
L:L:?3	R:R:V114	10.03	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	9.81	1	No	Yes	6	8	1	1
L:L:?3	R:R:V117	6.02	1	Yes	No	0	6	0	1
R:R:S207	R:R:T118	7.99	0	No	Yes	5	6	1	2
R:R:F193	R:R:Y174	10.32	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	6.95	1	Yes	Yes	5	6	2	2
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	5.16	1	Yes	Yes	4	6	1	2
L:L:?3	R:R:F193	9.84	1	Yes	Yes	0	4	0	1
R:R:T195	R:R:Y199	6.24	1	No	Yes	3	6	2	2
R:R:S203	R:R:Y199	13.99	0	No	Yes	5	6	1	2
L:L:?3	R:R:S203	5.06	1	Yes	No	0	5	0	1
R:R:F208	R:R:F290	32.15	0	No	Yes	8	7	2	1
R:R:F282	R:R:W286	13.03	0	Yes	Yes	9	8	2	1
R:R:F289	R:R:W286	6.01	1	Yes	Yes	6	8	1	1
R:R:F290	R:R:W286	7.02	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W286	12.67	0	No	Yes	7	8	2	1
L:L:?3	R:R:W286	4.6	1	Yes	Yes	0	8	0	1
R:R:F289	R:R:F290	6.43	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	8.46	1	Yes	No	6	5	1	1
R:R:F289	R:R:Y308	14.44	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	13.29	1	Yes	No	6	5	1	1
L:L:?3	R:R:F289	9.84	1	Yes	Yes	0	6	0	1
L:L:?3	R:R:F290	12.3	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	8.14	1	No	No	5	5	1	2
L:L:?3	R:R:N293	13.87	1	Yes	No	0	5	0	1
R:R:N312	R:R:Y316	13.96	1	No	Yes	5	6	1	1
L:L:?3	R:R:N312	14.8	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	13.5	0	No	Yes	5	6	2	1
L:L:?3	R:R:Y316	7.89	1	Yes	Yes	0	6	0	1
L:L:?3	R:R:S207	4.04	1	Yes	No	0	5	0	1
R:R:V87	R:R:Y316	3.79	0	No	Yes	7	6	2	1
R:R:F290	R:R:S204	2.64	1	Yes	No	7	5	1	2

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	5.00
Average Interaction Strength	9.71
Average Nodes In Shell	27.00
Average Hubs In Shell	11.00
Average Links In Shell	39.00
Average Links Mediated by Hubs In Shell	37.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

2YCW

Amine

Adrenergic

Beta1

Meleagris gallopavo

(S)-Carazolol

2011-06-01

10.1073/pnas.1100185108

A 2D representation of the interactions of CAU in 2YCW
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:D121	R:R:V94	7.3	1	No	No	7	7	1	2
R:R:V94	R:R:Y333	5.05	1	No	Yes	7	7	2	1
R:R:V95	R:R:W330	6.13	1	Yes	Yes	7	6	2	2
R:R:V95	R:R:Y333	3.79	1	Yes	Yes	7	7	2	1
R:R:F201	R:R:T118	11.67	1	Yes	No	4	6	1	2
R:R:D121	R:R:Y333	10.34	1	No	Yes	7	7	1	1
L:L:?1	R:R:D121	19.19	1	Yes	No	0	7	0	1
L:L:?1	R:R:V122	13.04	1	Yes	No	0	6	0	1
R:R:V125	R:R:W303	11.03	1	No	Yes	6	8	1	1
L:L:?1	R:R:V125	6.02	1	Yes	No	0	6	0	1
R:R:I177	R:R:W182	7.05	1	No	Yes	6	5	2	2
R:R:I177	R:R:Y207	3.63	1	No	Yes	6	7	2	1
R:R:F201	R:R:W182	7.02	1	Yes	Yes	4	5	1	2
R:R:T203	R:R:W182	3.64	1	Yes	Yes	4	5	2	2
R:R:W182	R:R:Y207	6.75	1	Yes	Yes	5	7	2	1
R:R:F201	R:R:T203	7.78	1	Yes	Yes	4	4	1	2
R:R:F201	R:R:Y207	5.16	1	Yes	Yes	4	7	1	1
L:L:?1	R:R:F201	12.3	1	Yes	Yes	0	4	0	1
R:R:T203	R:R:Y207	6.24	1	Yes	Yes	4	7	2	1
R:R:N204	R:R:Y207	3.49	0	No	Yes	5	7	2	1
R:R:S211	R:R:Y207	15.26	1	No	Yes	6	7	1	1
L:L:?1	R:R:Y207	3.95	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:S211	7.08	1	Yes	No	0	6	0	1
R:R:F216	R:R:F307	30.01	0	No	Yes	7	7	2	1
R:R:F299	R:R:W303	9.02	0	Yes	Yes	9	8	2	1
R:R:F306	R:R:W303	7.02	1	Yes	Yes	7	8	1	1
R:R:F307	R:R:W303	4.01	1	Yes	Yes	7	8	1	1
R:R:G332	R:R:W303	12.67	0	No	Yes	6	8	2	1
L:L:?1	R:R:W303	4.6	1	Yes	Yes	0	8	0	1
R:R:F306	R:R:F307	9.65	1	Yes	Yes	7	7	1	1
R:R:F306	R:R:N310	3.62	1	Yes	No	7	6	1	1
R:R:F306	R:R:F325	5.36	1	Yes	No	7	4	1	2
R:R:F306	R:R:N329	12.08	1	Yes	No	7	6	1	1
L:L:?1	R:R:F306	7.38	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:F307	13.12	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:N310	9.25	1	Yes	No	0	6	0	1
R:R:N329	R:R:Y333	13.96	1	No	Yes	6	7	1	1
L:L:?1	R:R:N329	13.87	1	Yes	No	0	6	0	1
R:R:W330	R:R:Y333	15.43	1	Yes	Yes	6	7	2	1
L:L:?1	R:R:Y333	7.11	1	Yes	Yes	0	7	0	1
R:R:P176	R:R:Y207	1.39	0	No	Yes	7	7	2	1

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	9.74
Average Nodes In Shell	26.00
Average Hubs In Shell	12.00
Average Links In Shell	41.00
Average Links Mediated by Hubs In Shell	40.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

4GBR

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

3.99

2012-10-24

10.1371/journal.pone.0046039

A 2D representation of the interactions of CAU in 4GBR
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:Y316	3.59	0	No	Yes	7	6	2	1
R:R:D113	R:R:V86	7.3	1	No	No	7	7	1	2
R:R:V86	R:R:Y316	3.79	1	No	Yes	7	6	2	1
R:R:F193	R:R:T110	3.89	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	9.2	1	No	Yes	7	6	1	1
R:R:D113	W:W:?1	20.11	1	No	Yes	7	0	1	0
R:R:V114	W:W:?1	12.04	0	No	Yes	5	0	1	0
R:R:V117	R:R:W286	7.36	1	No	Yes	6	8	1	1
R:R:V117	W:W:?1	6.02	1	No	Yes	6	0	1	0
R:R:F193	R:R:Y174	6.19	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	6.95	1	Yes	Yes	5	6	2	2
R:R:F193	R:R:T195	6.49	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	4.13	1	Yes	Yes	4	6	1	2
R:R:F193	W:W:?1	5.74	1	Yes	Yes	4	0	1	0
R:R:T195	R:R:Y199	4.99	1	No	Yes	3	6	2	2
R:R:S203	R:R:Y199	13.99	0	No	Yes	5	6	1	2
R:R:S203	W:W:?1	6.07	0	No	Yes	5	0	1	0
R:R:F208	R:R:F290	32.15	0	No	Yes	8	7	2	1
R:R:F282	R:R:W286	13.03	1	Yes	Yes	9	8	2	1
R:R:F282	R:R:N318	10.87	1	Yes	Yes	9	9	2	2
R:R:F289	R:R:W286	4.01	1	Yes	Yes	6	8	1	1
R:R:F290	R:R:W286	6.01	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W286	12.67	0	No	Yes	7	8	2	1
R:R:N318	R:R:W286	5.65	1	Yes	Yes	9	8	2	1
R:R:W286	W:W:?1	4.6	1	Yes	Yes	8	0	1	0
R:R:F289	R:R:F290	13.93	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	6.04	1	Yes	No	6	5	1	1
R:R:F289	R:R:Y308	10.32	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	8.46	1	Yes	No	6	5	1	1
R:R:F289	W:W:?1	11.48	1	Yes	Yes	6	0	1	0
R:R:F290	W:W:?1	14.76	1	Yes	Yes	7	0	1	0
R:R:N293	R:R:Y308	5.81	1	No	No	5	5	1	2
R:R:N293	W:W:?1	10.17	1	No	Yes	5	0	1	0
R:R:N312	R:R:Y316	11.63	1	No	Yes	5	6	1	1
R:R:N312	W:W:?1	14.8	1	No	Yes	5	0	1	0
R:R:W313	R:R:Y316	13.5	0	Yes	Yes	5	6	2	1
R:R:Y316	W:W:?1	8.68	1	Yes	Yes	6	0	1	0

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	5.00
Average Interaction Strength	10.41
Average Nodes In Shell	24.00
Average Hubs In Shell	11.00
Average Links In Shell	37.00
Average Links Mediated by Hubs In Shell	35.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

5D5A

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

2.48

2016-01-13

10.1107/S2059798315021683

A 2D representation of the interactions of CAU in 5D5A
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	4.56	1	Yes	No	7	7	2	2
R:R:M82	R:R:Y316	5.99	1	Yes	Yes	7	6	2	1
R:R:D113	R:R:V86	5.84	1	No	No	7	7	1	2
R:R:V86	R:R:Y316	3.79	1	No	Yes	7	6	2	1
R:R:V87	R:R:Y316	3.79	0	No	Yes	7	6	2	1
R:R:F193	R:R:T110	7.78	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	10.34	1	No	Yes	7	6	1	1
L:L:?1	R:R:D113	18.28	1	Yes	No	0	7	0	1
R:R:I169	R:R:V114	4.61	0	No	No	5	5	2	1
L:L:?1	R:R:V114	9.03	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	11.03	1	No	Yes	6	8	1	1
L:L:?1	R:R:V117	8.03	1	Yes	No	0	6	0	1
R:R:S207	R:R:T118	9.59	0	No	No	5	6	1	2
R:R:I169	R:R:Y174	7.25	0	No	Yes	5	5	2	2
R:R:F193	R:R:Y174	7.22	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	6.95	1	Yes	Yes	5	6	2	1
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	6.19	1	Yes	Yes	4	6	1	1
L:L:?1	R:R:F193	9.84	1	Yes	Yes	0	4	0	1
R:R:T195	R:R:Y199	6.24	1	No	Yes	3	6	2	1
R:R:S203	R:R:Y199	15.26	1	No	Yes	5	6	1	1
L:L:?1	R:R:Y199	6.32	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:S203	8.09	1	Yes	No	0	5	0	1
L:L:?1	R:R:S207	4.04	1	Yes	No	0	5	0	1
R:R:F208	R:R:F290	34.29	0	Yes	Yes	8	7	2	1
R:R:F282	R:R:W286	12.03	0	Yes	Yes	9	8	2	1
R:R:F289	R:R:W286	6.01	1	Yes	Yes	6	8	1	1
R:R:F290	R:R:W286	6.01	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W286	12.67	0	No	Yes	7	8	2	1
L:L:?1	R:R:W286	4.6	1	Yes	Yes	0	8	0	1
R:R:F289	R:R:F290	6.43	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	4.83	1	Yes	Yes	6	5	1	1
R:R:F289	R:R:Y308	15.47	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	15.71	1	Yes	No	6	5	1	1
L:L:?1	R:R:F289	8.2	1	Yes	Yes	0	6	0	1
R:R:F290	R:R:N293	4.83	1	Yes	Yes	7	5	1	1
L:L:?1	R:R:F290	13.94	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	5.81	1	Yes	No	5	5	1	2
L:L:?1	R:R:N293	12.02	1	Yes	Yes	0	5	0	1
R:R:N312	R:R:Y316	12.79	1	No	Yes	5	6	1	1
L:L:?1	R:R:N312	14.8	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	14.47	0	No	Yes	5	6	2	1
L:L:?1	R:R:Y316	6.32	1	Yes	Yes	0	6	0	1
R:R:N196	R:R:Y199	3.49	0	No	Yes	4	6	2	1
R:R:S207	R:R:T164	3.2	0	No	No	5	5	1	2
R:R:P168	R:R:Y199	2.78	0	No	Yes	5	6	2	1

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	9.50
Average Nodes In Shell	30.00
Average Hubs In Shell	12.00
Average Links In Shell	46.00
Average Links Mediated by Hubs In Shell	42.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

5D5B

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

3.8

2016-01-13

10.1107/S2059798315021683

A 2D representation of the interactions of CAU in 5D5B
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	7.61	1	Yes	No	7	7	2	2
R:R:M82	R:R:Y316	4.79	1	Yes	Yes	7	6	2	1
R:R:D113	R:R:V86	7.3	1	No	No	7	7	1	2
R:R:V86	R:R:Y316	3.79	1	No	Yes	7	6	2	1
R:R:V87	R:R:Y316	5.05	0	No	Yes	7	6	2	1
R:R:F193	R:R:T110	3.89	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	10.34	1	No	Yes	7	6	1	1
L:L:?1	R:R:D113	18.28	1	Yes	No	0	7	0	1
L:L:?1	R:R:V114	9.03	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	12.26	1	No	Yes	6	8	1	1
L:L:?1	R:R:V117	8.03	1	Yes	No	0	6	0	1
R:R:S207	R:R:T118	9.59	0	No	No	5	6	1	2
R:R:S207	R:R:T164	4.8	0	No	No	5	5	1	2
R:R:F193	R:R:Y174	4.13	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	6.95	1	Yes	Yes	5	6	2	1
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	7.22	1	Yes	Yes	4	6	1	1
L:L:?1	R:R:F193	10.66	1	Yes	Yes	0	4	0	1
R:R:T195	R:R:Y199	6.24	1	No	Yes	3	6	2	1
R:R:S203	R:R:Y199	15.26	1	No	Yes	5	6	1	1
L:L:?1	R:R:Y199	3.95	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:S203	8.09	1	Yes	No	0	5	0	1
L:L:?1	R:R:S207	4.04	1	Yes	No	0	5	0	1
R:R:F208	R:R:F290	34.29	0	No	Yes	8	7	2	1
R:R:F282	R:R:W286	12.03	0	Yes	Yes	9	8	2	1
R:R:F289	R:R:W286	6.01	1	Yes	Yes	6	8	1	1
R:R:F290	R:R:W286	7.02	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W286	12.67	0	No	Yes	7	8	2	1
L:L:?1	R:R:W286	4.6	1	Yes	Yes	0	8	0	1
R:R:F289	R:R:F290	5.36	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	3.62	1	Yes	Yes	6	5	1	1
R:R:F289	R:R:Y308	16.5	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	12.08	1	Yes	No	6	5	1	1
L:L:?1	R:R:F289	8.2	1	Yes	Yes	0	6	0	1
R:R:F290	R:R:N293	3.62	1	Yes	Yes	7	5	1	1
L:L:?1	R:R:F290	12.3	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	5.81	1	Yes	No	5	5	1	2
L:L:?1	R:R:N293	12.95	1	Yes	Yes	0	5	0	1
R:R:N312	R:R:Y316	16.28	1	No	Yes	5	6	1	1
L:L:?1	R:R:N312	13.87	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	14.47	0	No	Yes	5	6	2	1
L:L:?1	R:R:Y316	6.32	1	Yes	Yes	0	6	0	1
R:R:N196	R:R:Y199	3.49	0	No	Yes	4	6	2	1
R:R:P168	R:R:Y199	2.78	0	No	Yes	5	6	2	1

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	9.26
Average Nodes In Shell	29.00
Average Hubs In Shell	11.00
Average Links In Shell	44.00
Average Links Mediated by Hubs In Shell	41.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

5D6L

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

3.2

2016-08-17

10.1038/nprot.2017.057

A 2D representation of the interactions of CAU in 5D6L
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	4.56	1	Yes	Yes	7	7	2	2
R:R:M82	R:R:Y316	4.79	1	Yes	Yes	7	6	2	1
R:R:D113	R:R:V86	7.3	1	No	Yes	7	7	1	2
R:R:V86	R:R:Y316	3.79	1	Yes	Yes	7	6	2	1
R:R:V87	R:R:Y316	3.79	0	No	Yes	7	6	2	1
R:R:F193	R:R:T110	5.19	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	10.34	1	No	Yes	7	6	1	1
L:L:?3	R:R:D113	18.28	1	Yes	No	0	7	0	1
L:L:?3	R:R:V114	11.04	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	11.03	1	No	Yes	6	8	1	1
L:L:?3	R:R:V117	7.02	1	Yes	No	0	6	0	1
R:R:P168	R:R:Y199	4.17	0	No	Yes	5	6	2	1
R:R:F193	R:R:Y174	10.32	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	6.95	1	Yes	Yes	5	6	2	1
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	5.16	1	Yes	Yes	4	6	1	1
L:L:?3	R:R:F193	9.84	1	Yes	Yes	0	4	0	1
R:R:T195	R:R:Y199	6.24	1	No	Yes	3	6	2	1
R:R:N196	R:R:Y199	3.49	0	No	Yes	4	6	2	1
R:R:S203	R:R:Y199	15.26	1	No	Yes	5	6	1	1
L:L:?3	R:R:Y199	3.95	1	Yes	Yes	0	6	0	1
L:L:?3	R:R:S203	5.06	1	Yes	No	0	5	0	1
R:R:F208	R:R:F290	31.08	0	No	Yes	8	7	2	1
R:R:F282	R:R:W286	12.03	0	Yes	Yes	9	8	2	1
R:R:F289	R:R:W286	6.01	1	Yes	Yes	6	8	1	1
R:R:F290	R:R:W286	6.01	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W286	12.67	0	No	Yes	7	8	2	1
L:L:?3	R:R:W286	4.6	1	Yes	Yes	0	8	0	1
R:R:F289	R:R:F290	6.43	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	8.46	1	Yes	Yes	6	5	1	1
R:R:F289	R:R:Y308	15.47	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	8.46	1	Yes	No	6	5	1	1
L:L:?3	R:R:F289	9.02	1	Yes	Yes	0	6	0	1
R:R:F290	R:R:N293	3.62	1	Yes	Yes	7	5	1	1
L:L:?3	R:R:F290	12.3	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	8.14	1	Yes	No	5	5	1	2
L:L:?3	R:R:N293	12.95	1	Yes	Yes	0	5	0	1
R:R:N312	R:R:Y316	17.44	1	No	Yes	5	6	1	1
L:L:?3	R:R:N312	12.02	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	14.47	0	No	Yes	5	6	2	1
L:L:?3	R:R:Y316	7.11	1	Yes	Yes	0	6	0	1
R:R:F290	R:R:S204	2.64	1	Yes	No	7	5	1	2

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	9.43
Average Nodes In Shell	27.00
Average Hubs In Shell	12.00
Average Links In Shell	42.00
Average Links Mediated by Hubs In Shell	42.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

5JQH

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

3.2

2016-07-13

10.1038/nature18636

A 2D representation of the interactions of CAU in 5JQH
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:D113	R:R:V86	8.76	1	No	No	7	7	1	2
R:R:V87	R:R:Y316	5.05	0	No	Yes	7	6	2	1
R:R:F193	R:R:T110	6.49	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	9.2	1	No	Yes	7	6	1	1
L:L:?401	R:R:D113	18.28	1	Yes	No	0	7	0	1
R:R:S165	R:R:V114	6.46	0	No	No	7	5	2	1
L:L:?401	R:R:V114	11.04	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	12.26	0	No	Yes	6	8	1	2
L:L:?401	R:R:V117	5.02	1	Yes	No	0	6	0	1
R:R:F193	R:R:Y174	7.22	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	5.96	1	Yes	Yes	5	6	2	2
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	4.13	1	Yes	Yes	4	6	1	2
L:L:?401	R:R:F193	4.92	1	Yes	Yes	0	4	0	1
R:R:T195	R:R:Y199	4.99	1	No	Yes	3	6	2	2
R:R:S203	R:R:Y199	12.72	0	No	Yes	5	6	1	2
L:L:?401	R:R:S203	7.08	1	Yes	No	0	5	0	1
R:R:F290	R:R:S204	5.28	1	Yes	No	7	5	1	1
R:R:N293	R:R:S204	4.47	1	Yes	No	5	5	1	1
L:L:?401	R:R:S204	7.08	1	Yes	No	0	5	0	1
R:R:F208	R:R:F290	32.15	0	Yes	Yes	8	7	2	1
R:R:F289	R:R:W286	5.01	1	Yes	Yes	6	8	1	2
R:R:F290	R:R:W286	5.01	1	Yes	Yes	7	8	1	2
R:R:F289	R:R:F290	9.65	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	12.08	1	Yes	Yes	6	5	1	1
R:R:F289	R:R:Y308	9.28	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	10.87	1	Yes	No	6	5	1	1
L:L:?401	R:R:F289	10.66	1	Yes	Yes	0	6	0	1
R:R:F290	R:R:N293	4.83	1	Yes	Yes	7	5	1	1
L:L:?401	R:R:F290	12.3	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	5.81	1	Yes	No	5	5	1	2
L:L:?401	R:R:N293	9.25	1	Yes	Yes	0	5	0	1
R:R:N312	R:R:Y316	10.47	1	No	Yes	5	6	1	1
L:L:?401	R:R:N312	12.95	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	18.33	0	No	Yes	5	6	2	1
L:L:?401	R:R:Y316	5.53	1	Yes	Yes	0	6	0	1

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	5.00
Average Interaction Strength	9.46
Average Nodes In Shell	23.00
Average Hubs In Shell	10.00
Average Links In Shell	36.00
Average Links Mediated by Hubs In Shell	34.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

5X7D

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

PubChem 129318963

2.7

2017-08-16

10.1038/nature23652

A 2D representation of the interactions of CAU in 5X7D
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	4.56	1	Yes	No	7	7	2	2
R:R:D113	R:R:M82	4.16	1	Yes	Yes	7	7	1	2
R:R:D113	R:R:V86	7.3	1	Yes	No	7	7	1	2
R:R:F193	R:R:T110	6.49	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	10.34	1	Yes	Yes	7	6	1	1
L:L:?5	R:R:D113	16.45	1	Yes	Yes	0	7	0	1
R:R:S165	R:R:V114	6.46	0	No	No	7	5	2	1
L:L:?5	R:R:V114	10.03	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	8.58	1	No	Yes	6	8	1	1
L:L:?5	R:R:V117	6.02	1	Yes	No	0	6	0	1
R:R:F193	R:R:Y174	5.16	1	Yes	Yes	4	5	1	2
R:R:T195	R:R:Y174	4.99	1	No	Yes	3	5	2	2
R:R:Y174	R:R:Y199	6.95	1	Yes	Yes	5	6	2	2
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
L:L:?5	R:R:F193	9.02	1	Yes	Yes	0	4	0	1
R:R:T195	R:R:Y199	8.74	1	No	Yes	3	6	2	2
R:R:S203	R:R:Y199	13.99	0	No	Yes	5	6	1	2
L:L:?5	R:R:S203	6.07	1	Yes	No	0	5	0	1
R:R:F290	R:R:S204	5.28	1	Yes	No	7	5	1	2
R:R:N293	R:R:S204	4.47	1	Yes	No	5	5	1	2
R:R:F208	R:R:F290	30.01	0	No	Yes	8	7	2	1
R:R:F282	R:R:W286	10.02	1	Yes	Yes	9	8	2	1
R:R:F282	R:R:N318	8.46	1	Yes	No	9	9	2	2
R:R:F289	R:R:W286	6.01	1	Yes	Yes	6	8	1	1
R:R:F290	R:R:W286	5.01	1	Yes	Yes	7	8	1	1
R:R:G315	R:R:W286	12.67	0	No	Yes	7	8	2	1
R:R:N318	R:R:W286	4.52	1	No	Yes	9	8	2	1
L:L:?5	R:R:W286	4.6	1	Yes	Yes	0	8	0	1
R:R:F289	R:R:F290	7.5	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:N293	6.04	1	Yes	Yes	6	5	1	1
R:R:F289	R:R:Y308	11.35	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	10.87	1	Yes	No	6	5	1	1
L:L:?5	R:R:F289	8.2	1	Yes	Yes	0	6	0	1
L:L:?5	R:R:F290	12.3	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	9.3	1	Yes	No	5	5	1	2
L:L:?5	R:R:N293	11.1	1	Yes	Yes	0	5	0	1
R:R:N312	R:R:Y316	12.79	1	No	Yes	5	6	1	1
L:L:?5	R:R:N312	14.8	1	Yes	No	0	5	0	1
R:R:W313	R:R:Y316	18.33	1	No	Yes	5	6	2	1
L:L:?5	R:R:Y316	4.74	1	Yes	Yes	0	6	0	1
R:R:V87	R:R:Y316	3.79	0	No	Yes	7	6	2	1
L:L:?5	R:R:A200	2.12	1	Yes	No	0	5	0	1

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	8.79
Average Nodes In Shell	28.00
Average Hubs In Shell	12.00
Average Links In Shell	42.00
Average Links Mediated by Hubs In Shell	41.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

6PS0

Amine

Adrenergic

Beta2

Homo sapiens

(S)-Carazolol

3.4

2019-11-13

10.1107/S2052252519013137

A 2D representation of the interactions of CAU in 6PS0
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M82	R:R:V86	6.09	1	Yes	No	7	7	2	2
R:R:M82	R:R:Y316	5.99	1	Yes	Yes	7	6	2	1
R:R:D113	R:R:V86	7.3	1	No	No	7	7	1	2
R:R:V86	R:R:Y316	5.05	1	No	Yes	7	6	2	1
R:R:F193	R:R:T110	10.38	1	Yes	No	4	4	1	2
R:R:D113	R:R:Y316	10.34	1	No	Yes	7	6	1	1
L:L:?1	R:R:D113	19.19	1	Yes	No	0	7	0	1
R:R:S165	R:R:V114	6.46	0	No	No	7	5	2	1
L:L:?1	R:R:V114	8.03	1	Yes	No	0	5	0	1
R:R:V117	R:R:W286	17.16	1	No	Yes	6	8	1	1
L:L:?1	R:R:V117	12.04	1	Yes	No	0	6	0	1
R:R:F193	R:R:Y174	7.22	1	Yes	Yes	4	5	1	2
R:R:Y174	R:R:Y199	5.96	1	Yes	Yes	5	6	2	2
R:R:F193	R:R:T195	7.78	1	Yes	No	4	3	1	2
R:R:F193	R:R:Y199	6.19	1	Yes	Yes	4	6	1	2
L:L:?1	R:R:F193	11.48	1	Yes	Yes	0	4	0	1
R:R:S203	R:R:Y199	16.53	0	No	Yes	5	6	1	2
L:L:?1	R:R:S203	8.09	1	Yes	No	0	5	0	1
R:R:F290	R:R:S204	5.28	1	Yes	No	7	5	1	2
R:R:N293	R:R:S204	4.47	0	No	No	5	5	1	2
R:R:F208	R:R:Y209	8.25	1	Yes	No	8	5	2	2
R:R:F208	R:R:F290	27.86	1	Yes	Yes	8	7	2	1
R:R:F290	R:R:Y209	5.16	1	Yes	No	7	5	1	2
R:R:F282	R:R:W286	13.03	1	Yes	Yes	9	8	2	1
R:R:F282	R:R:N318	8.46	1	Yes	Yes	9	9	2	2
R:R:G315	R:R:W286	11.26	0	No	Yes	7	8	2	1
R:R:N318	R:R:W286	6.78	1	Yes	Yes	9	8	2	1
L:L:?1	R:R:W286	4.6	1	Yes	Yes	0	8	0	1
R:R:F289	R:R:F290	6.43	1	Yes	Yes	6	7	1	1
R:R:F289	R:R:Y308	17.54	1	Yes	No	6	5	1	2
R:R:F289	R:R:N312	13.29	1	Yes	Yes	6	5	1	1
L:L:?1	R:R:F289	12.3	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:F290	12.3	1	Yes	Yes	0	7	0	1
R:R:N293	R:R:Y308	5.81	0	No	No	5	5	1	2
L:L:?1	R:R:N293	12.95	1	Yes	No	0	5	0	1
R:R:N312	R:R:Y308	6.98	1	Yes	No	5	5	1	2
R:R:N312	R:R:Y316	15.12	1	Yes	Yes	5	6	1	1
L:L:?1	R:R:N312	13.87	1	Yes	Yes	0	5	0	1
R:R:W313	R:R:Y316	15.43	0	Yes	Yes	5	6	2	1
L:L:?1	R:R:Y316	4.74	1	Yes	Yes	0	6	0	1
R:R:V87	R:R:Y316	3.79	0	No	Yes	7	6	2	1

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	10.87
Average Nodes In Shell	28.00
Average Hubs In Shell	14.00
Average Links In Shell	41.00
Average Links Mediated by Hubs In Shell	37.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7BVQ

Amine

Adrenergic

Beta1

Homo sapiens

(S)-Carazolol

2.5

2020-12-02

10.1038/s41422-020-00424-2

A 2D representation of the interactions of CAU in 7BVQ
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:M107	R:R:V111	7.61	0	Yes	No	7	7	2	2
R:R:M107	R:R:Y367	4.79	0	Yes	Yes	7	8	2	1
R:R:D138	R:R:V111	7.3	1	No	No	7	7	1	2
R:R:V112	R:R:Y367	5.05	0	No	Yes	7	8	2	1
R:R:G115	R:R:W134	5.63	0	No	Yes	6	5	2	1
R:R:W124	R:R:W134	10.31	1	Yes	Yes	7	5	2	1
L:L:?402	R:R:W134	4.6	1	Yes	Yes	0	5	0	1
R:R:F218	R:R:T135	5.19	1	Yes	No	6	5	1	2
R:R:D138	R:R:Y367	10.34	1	No	Yes	7	8	1	1
L:L:?402	R:R:D138	21.02	1	Yes	No	0	7	0	1
L:L:?402	R:R:V139	15.05	1	Yes	No	0	7	0	1
R:R:V142	R:R:W337	7.36	0	No	Yes	6	8	1	2
L:L:?402	R:R:V142	8.03	1	Yes	No	0	6	0	1
R:R:S232	R:R:T143	9.59	0	No	No	7	7	1	2
R:R:F218	R:R:W199	7.02	1	Yes	Yes	6	6	1	2
R:R:T220	R:R:W199	4.85	1	Yes	Yes	5	6	2	2
R:R:W199	R:R:Y224	6.75	1	Yes	Yes	6	7	2	2
R:R:F218	R:R:T220	7.78	1	Yes	Yes	6	5	1	2
R:R:F218	R:R:Y224	5.16	1	Yes	Yes	6	7	1	2
L:L:?402	R:R:F218	10.66	1	Yes	Yes	0	6	0	1
R:R:T220	R:R:Y224	4.99	1	Yes	Yes	5	7	2	2
R:R:S228	R:R:Y224	13.99	0	No	Yes	6	7	1	2
L:L:?402	R:R:S228	8.09	1	Yes	No	0	6	0	1
L:L:?402	R:R:S232	4.04	1	Yes	No	0	7	0	1
R:R:F233	R:R:F341	31.08	0	No	Yes	8	7	2	1
R:R:F340	R:R:W337	5.01	1	Yes	Yes	7	8	1	2
R:R:F341	R:R:W337	5.01	1	Yes	Yes	7	8	1	2
R:R:F340	R:R:F341	5.36	1	Yes	Yes	7	7	1	1
R:R:F340	R:R:F359	11.79	1	Yes	Yes	7	5	1	2
R:R:F340	R:R:N363	9.67	1	Yes	No	7	6	1	1
L:L:?402	R:R:F340	5.74	1	Yes	Yes	0	7	0	1
L:L:?402	R:R:F341	10.66	1	Yes	Yes	0	7	0	1
R:R:F359	R:R:N344	7.25	0	Yes	No	5	6	2	1
L:L:?402	R:R:N344	11.1	1	Yes	No	0	6	0	1
R:R:N363	R:R:Y367	15.12	1	No	Yes	6	8	1	1
L:L:?402	R:R:N363	11.1	1	Yes	No	0	6	0	1
R:R:W364	R:R:Y367	14.47	1	Yes	Yes	7	8	2	1
L:L:?402	R:R:Y367	5.53	1	Yes	Yes	0	8	0	1
R:R:I118	R:R:W124	3.52	1	No	Yes	6	7	2	2
R:R:I118	R:R:W134	3.52	1	No	Yes	6	5	2	1
R:R:S232	R:R:V189	3.23	0	No	No	7	6	1	2

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	5.00
Average Interaction Strength	9.63
Average Nodes In Shell	29.00
Average Hubs In Shell	14.00
Average Links In Shell	41.00
Average Links Mediated by Hubs In Shell	38.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Statistics	Value
Average Number Of Links	11.90
Average Number Of Links With An Hub	6.00
Average Interaction Strength	9.68
Average Nodes In Shell	27.10
Average Hubs In Shell	11.90
Average Links In Shell	40.90
Average Links Mediated by Hubs In Shell	38.70

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)