psnGPCR

Code	G3C
Name	(1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Synonyms
Identifier
Formula	C16 H16 Cl N O3
Molecular Weight	305.756
SMILES
PubChem	12668023
Formal Charge	0
Total Atoms	37
Total Chiral Atoms	1
Total Bonds	39
Total Aromatic Bonds	12
Networks	6

This ligand is also present in the following 6 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7CKW

Amine

Dopamine

Homo Sapiens

Fenoldopam

Gs/Beta1/Gamma2

3.22

2021-03-03

doi.org/10.1016/j.cell.2021.01.028

A 2D representation of the interactions of G3C in 7CKW
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
L:L:?1	R:R:D103	15.68	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:I104	5.82	1	Yes	No	0	6	0	1
L:L:?1	R:R:S107	6.12	1	Yes	No	0	7	0	1
L:L:?1	R:R:L190	19.76	1	Yes	No	0	4	0	1
L:L:?1	R:R:S198	8.17	1	Yes	No	0	7	0	1
L:L:?1	R:R:S199	5.1	1	Yes	No	0	7	0	1
L:L:?1	R:R:S202	5.1	1	Yes	No	0	6	0	1
L:L:?1	R:R:F288	12.42	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:F289	4.97	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:N292	14	1	Yes	No	0	6	0	1
R:R:D103	R:R:V77	7.3	1	Yes	No	7	8	1	2
R:R:V77	R:R:W321	4.9	1	No	Yes	8	7	2	2
R:R:D103	R:R:S107	5.89	1	Yes	No	7	7	1	1
R:R:D103	R:R:W321	12.28	1	Yes	Yes	7	7	1	2
R:R:I104	R:R:S155	6.19	0	No	No	6	7	1	2
R:R:S107	R:R:W285	7.41	1	No	Yes	7	8	1	2
R:R:I154	R:R:T108	4.56	0	No	No	5	6	2	2
R:R:S202	R:R:T108	7.99	1	No	No	6	6	1	2
R:R:I154	R:R:S198	6.19	0	No	No	5	7	2	1
R:R:H164	R:R:L190	5.14	0	Yes	No	5	4	2	1
R:R:H164	R:R:Y194	6.53	0	Yes	Yes	5	7	2	2
R:R:S198	R:R:Y194	11.45	0	No	Yes	7	7	1	2
R:R:F289	R:R:S199	5.28	1	Yes	No	7	7	1	1
R:R:N292	R:R:S199	7.45	1	No	No	6	7	1	1
R:R:F289	R:R:S202	6.61	1	Yes	No	7	6	1	1
R:R:F203	R:R:F289	22.51	0	Yes	Yes	8	7	2	1
R:R:F289	R:R:W285	7.02	1	Yes	Yes	7	8	1	2
R:R:F288	R:R:F289	15	1	Yes	Yes	7	7	1	1
R:R:F288	R:R:N292	9.67	1	Yes	No	7	6	1	1
R:R:F288	R:R:F313	5.36	1	Yes	Yes	7	4	1	2

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	3.00
Average Interaction Strength	9.71
Average Nodes In Shell	21.00
Average Hubs In Shell	10.00
Average Links In Shell	30.00
Average Links Mediated by Hubs In Shell	25.00

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

7X2C

Amine

Dopamine

Homo Sapiens

Fenoldopam

Gs/Beta1/Gamma2

3.2

2022-06-29

doi.org/10.1038/s41467-022-30929-w

A 2D representation of the interactions of G3C in 7X2C
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
L:L:?1	R:R:D103	17.53	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:I104	22.32	1	Yes	No	0	6	0	1
L:L:?1	R:R:S107	7.15	1	Yes	No	0	7	0	1
L:L:?1	R:R:L190	17.88	1	Yes	No	0	4	0	1
L:L:?1	R:R:S198	9.19	1	Yes	No	0	7	0	1
L:L:?1	R:R:S202	4.08	1	Yes	No	0	6	0	1
L:L:?1	R:R:F288	11.59	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:F289	6.62	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:N292	3.73	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:W321	5.42	1	Yes	Yes	0	7	0	1
L:L:?1	W:W:?1	31.98	1	Yes	Yes	0	0	0	1
R:R:V77	R:R:W99	4.9	1	No	Yes	8	5	2	2
R:R:D103	R:R:V77	4.38	1	Yes	No	7	8	1	2
R:R:V77	R:R:W321	8.58	1	No	Yes	8	7	2	1
R:R:M78	R:R:W321	6.98	0	No	Yes	7	7	2	1
R:R:K81	R:R:W99	3.48	1	Yes	Yes	6	5	2	2
R:R:D314	R:R:K81	5.53	1	No	Yes	4	6	2	2
R:R:K81	R:R:W318	9.28	1	Yes	No	6	5	2	2
R:R:K81	R:R:W321	5.8	1	Yes	Yes	6	7	2	1
R:R:K81	W:W:?1	8.63	1	Yes	Yes	6	0	2	1
R:R:W99	W:W:?1	8.52	1	Yes	Yes	5	0	2	1
R:R:D103	R:R:W321	12.28	1	Yes	Yes	7	7	1	1
R:R:D103	W:W:?1	4.61	1	Yes	Yes	7	0	1	1
R:R:I104	R:R:S155	6.19	0	No	No	6	7	1	2
R:R:I104	R:R:Y194	3.63	0	No	Yes	6	7	1	2
R:R:S107	R:R:W285	4.94	0	No	Yes	7	8	1	2
R:R:S202	R:R:T108	9.59	0	No	No	6	6	1	2
R:R:H164	R:R:L190	3.86	0	Yes	No	5	4	2	1
R:R:H164	R:R:Y194	4.36	0	Yes	Yes	5	7	2	2
R:R:S189	W:W:?1	4.08	0	No	Yes	4	0	2	1
R:R:L190	R:R:N292	5.49	1	No	Yes	4	6	1	1
R:R:S198	R:R:Y194	7.63	0	No	Yes	7	7	1	2
R:R:F289	R:R:S199	6.61	1	Yes	No	7	7	1	2
R:R:N292	R:R:S199	5.96	1	Yes	No	6	7	1	2
R:R:F203	R:R:W285	4.01	1	Yes	Yes	8	8	2	2
R:R:F203	R:R:F289	21.43	1	Yes	Yes	8	7	2	1
R:R:F288	R:R:W285	6.01	1	Yes	Yes	7	8	1	2
R:R:F289	R:R:W285	6.01	1	Yes	Yes	7	8	1	2
R:R:F288	R:R:F289	8.57	1	Yes	Yes	7	7	1	1
R:R:F288	R:R:N292	3.62	1	Yes	Yes	7	6	1	1
R:R:F288	R:R:F313	4.29	1	Yes	No	7	4	1	2
R:R:F288	R:R:V317	3.93	1	Yes	No	7	6	1	2
R:R:F313	W:W:?1	5.8	0	No	Yes	4	0	2	1
R:R:D314	W:W:?1	10.15	1	No	Yes	4	0	2	1
R:R:W318	R:R:W321	8.43	1	No	Yes	5	7	2	1
R:R:I154	R:R:S155	3.1	0	No	No	5	7	2	2
R:R:I154	R:R:S198	3.1	0	No	No	5	7	2	1
R:R:S310	W:W:?1	3.06	0	No	Yes	1	0	2	1
R:R:D187	W:W:?1	0.92	0	No	Yes	5	0	2	1

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	12.50
Average Nodes In Shell	31.00
Average Hubs In Shell	13.00
Average Links In Shell	49.00
Average Links Mediated by Hubs In Shell	45.00

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

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

A 2D representation of the interactions of G3C in 7X2C
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
L:L:?1	R:R:D103	17.53	1	Yes	Yes	0	7	1	1
L:L:?1	R:R:I104	22.32	1	Yes	No	0	6	1	2
L:L:?1	R:R:S107	7.15	1	Yes	No	0	7	1	2
L:L:?1	R:R:L190	17.88	1	Yes	No	0	4	1	2
L:L:?1	R:R:S198	9.19	1	Yes	No	0	7	1	2
L:L:?1	R:R:S202	4.08	1	Yes	No	0	6	1	2
L:L:?1	R:R:F288	11.59	1	Yes	Yes	0	7	1	2
L:L:?1	R:R:F289	6.62	1	Yes	Yes	0	7	1	2
L:L:?1	R:R:N292	3.73	1	Yes	Yes	0	6	1	2
L:L:?1	R:R:W321	5.42	1	Yes	Yes	0	7	1	2
L:L:?1	W:W:?1	31.98	1	Yes	Yes	0	0	1	0
R:R:V77	R:R:W99	4.9	1	No	Yes	8	5	2	1
R:R:D103	R:R:V77	4.38	1	Yes	No	7	8	1	2
R:R:V77	R:R:W321	8.58	1	No	Yes	8	7	2	2
R:R:F95	R:R:W80	10.02	1	Yes	Yes	5	5	2	2
R:R:W80	R:R:W99	7.5	1	Yes	Yes	5	5	2	1
R:R:E85	R:R:K81	4.05	1	No	Yes	4	6	2	1
R:R:K81	R:R:W99	3.48	1	Yes	Yes	6	5	1	1
R:R:D314	R:R:K81	5.53	1	No	Yes	4	6	1	1
R:R:K81	R:R:W318	9.28	1	Yes	No	6	5	1	2
R:R:K81	R:R:W321	5.8	1	Yes	Yes	6	7	1	2
R:R:K81	W:W:?1	8.63	1	Yes	Yes	6	0	1	0
R:R:D314	R:R:E85	9.09	1	No	No	4	4	1	2
R:R:W90	R:R:W99	7.5	1	Yes	Yes	8	5	2	1
R:R:F95	R:R:W99	4.01	1	Yes	Yes	5	5	2	1
R:R:V100	R:R:W99	3.68	0	No	Yes	5	5	2	1
R:R:W99	W:W:?1	8.52	1	Yes	Yes	5	0	1	0
R:R:D103	R:R:W321	12.28	1	Yes	Yes	7	7	1	2
R:R:D103	W:W:?1	4.61	1	Yes	Yes	7	0	1	0
R:R:S189	W:W:?1	4.08	0	No	Yes	4	0	1	0
R:R:L190	R:R:N292	5.49	1	No	Yes	4	6	2	2
R:R:F288	R:R:F289	8.57	1	Yes	Yes	7	7	2	2
R:R:F288	R:R:N292	3.62	1	Yes	Yes	7	6	2	2
R:R:F288	R:R:F313	4.29	1	Yes	No	7	4	2	1
R:R:F313	W:W:?1	5.8	0	No	Yes	4	0	1	0
R:R:D314	W:W:?1	10.15	1	No	Yes	4	0	1	0
R:R:W318	R:R:W321	8.43	1	No	Yes	5	7	2	2
R:R:S310	W:W:?1	3.06	0	No	Yes	1	0	1	0
R:R:D187	W:W:?1	0.92	0	No	Yes	5	0	1	0

Statistics	Value
Average Number Of Links	9.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	8.64
Average Nodes In Shell	26.00
Average Hubs In Shell	12.00
Average Links In Shell	39.00
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 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

8JLQ

Amine

Trace Amine Receptors

TA1

Homo Sapiens

Fenoldopam

Gs/Beta1/Gamma2

2.84

2023-11-15

doi.org/10.1038/s41586-023-06804-z

A 2D representation of the interactions of G3C in 8JLQ
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
L:L:?1	R:R:R83	9.08	2	Yes	No	0	4	0	1
L:L:?1	R:R:T100	6.01	2	Yes	No	0	4	0	1
L:L:?1	R:R:D103	15.68	2	Yes	No	0	6	0	1
L:L:?1	R:R:I104	7.76	2	Yes	No	0	4	0	1
L:L:?1	R:R:S107	10.21	2	Yes	No	0	6	0	1
L:L:?1	R:R:V184	9.11	2	Yes	No	0	4	0	1
L:L:?1	R:R:F186	6.62	2	Yes	Yes	0	1	0	1
L:L:?1	R:R:F267	16.56	2	Yes	Yes	0	5	0	1
L:L:?1	R:R:F268	4.14	2	Yes	Yes	0	7	0	1
L:L:?1	R:R:I290	12.61	2	Yes	Yes	0	5	0	1
R:R:D103	R:R:V76	11.69	2	No	Yes	6	7	1	2
R:R:V76	R:R:Y294	3.79	2	Yes	Yes	7	7	2	2
R:R:R83	R:R:S80	9.22	0	No	No	4	6	1	2
R:R:S80	R:R:Y294	7.63	0	No	Yes	6	7	2	2
R:R:R83	R:R:W89	6	0	No	Yes	4	7	1	2
R:R:D103	R:R:Y294	10.34	2	No	Yes	6	7	1	2
R:R:S107	R:R:W264	4.94	0	No	Yes	6	8	1	2
R:R:N164	R:R:V184	4.43	2	No	No	4	4	2	1
R:R:F186	R:R:N164	7.25	2	Yes	No	1	4	1	2
R:R:F186	R:R:V184	13.11	2	Yes	No	1	4	1	1
R:R:F195	R:R:F199	7.5	2	Yes	Yes	5	8	2	2
R:R:F195	R:R:F268	5.36	2	Yes	Yes	5	7	2	1
R:R:F199	R:R:W264	4.01	2	Yes	Yes	8	8	2	2
R:R:F199	R:R:F268	20.36	2	Yes	Yes	8	7	2	1
R:R:F267	R:R:W264	7.02	2	Yes	Yes	5	8	1	2
R:R:F268	R:R:W264	8.02	2	Yes	Yes	7	8	1	2
R:R:F267	R:R:F268	5.36	2	Yes	Yes	5	7	1	1
R:R:F267	R:R:T271	7.78	2	Yes	No	5	5	1	2
R:R:F267	R:R:L289	6.09	2	Yes	No	5	5	1	2
R:R:F267	R:R:I290	5.02	2	Yes	Yes	5	5	1	1
R:R:I290	R:R:Y294	6.04	2	Yes	Yes	5	7	1	2
R:R:A155	R:R:I104	3.25	0	No	No	6	4	2	1
R:R:I290	R:R:N286	2.83	2	Yes	No	5	4	1	2
R:R:F186	R:R:S190	2.64	2	Yes	No	1	6	1	2

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	9.78
Average Nodes In Shell	24.00
Average Hubs In Shell	11.00
Average Links In Shell	34.00
Average Links Mediated by Hubs In Shell	31.00

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	9.88
Average Number Of Links With An Hub	4.12
Average Interaction Strength	10.24
Average Nodes In Shell	25.38
Average Hubs In Shell	11.25
Average Links In Shell	37.50
Average Links Mediated by Hubs In Shell	34.25

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)