psnGPCR

Code	CZX
Name	Dexmedetomidine
Synonyms	Dexmedetomidine
Identifier	4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula	C13 H16 N2
Molecular Weight	200.28
SMILES	Cc1cccc(c1C)[C@H](C)c2c[nH]cn2
PubChem	5311068
Formal Charge	0
Total Atoms	31
Total Chiral Atoms	1
Total Bonds	32
Total Aromatic Bonds	11
Networks	3

This ligand is also present in the following 3 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

6K41

Amine

Adrenergic

Alpha2B

Homo sapiens

Dexmedetomidine

Go/Beta1/Gamma2

2.9

2020-04-15

10.1038/s41589-020-0492-2

A 2D representation of the interactions of CZX in 6K41
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:D92	R:R:I65	12.59	2	No	Yes	9	9	1	2
R:R:I65	R:R:Y416	3.63	2	Yes	Yes	9	8	2	1
R:R:I66	R:R:Y416	7.25	0	No	Yes	8	8	2	1
R:R:S69	R:R:Y416	5.09	0	No	Yes	8	8	2	1
R:R:D92	R:R:Y416	6.9	2	No	Yes	9	8	1	1
L:L:?1	R:R:D92	9.85	2	Yes	No	0	9	0	1
L:L:?1	R:R:V93	9.62	2	Yes	No	0	9	0	1
R:R:C96	R:R:W384	5.22	2	No	Yes	9	9	1	1
L:L:?1	R:R:C96	6.4	2	Yes	No	0	9	0	1
R:R:S180	R:R:T97	7.99	0	No	No	9	9	1	2
R:R:F380	R:R:I100	5.02	2	Yes	No	9	9	2	2
R:R:I100	R:R:W384	12.92	2	No	Yes	9	9	2	1
R:R:L166	R:R:Y391	3.52	0	No	Yes	7	8	2	1
R:R:I173	R:R:Y391	15.71	0	No	Yes	8	8	2	1
R:R:S176	R:R:Y391	3.82	0	No	Yes	9	8	2	1
R:R:F388	R:R:S177	3.96	2	Yes	Yes	9	8	1	2
R:R:S177	R:R:Y391	3.82	2	Yes	Yes	8	8	2	1
L:L:?1	R:R:S180	6.06	2	Yes	No	0	9	0	1
R:R:F181	R:R:F380	7.5	2	Yes	Yes	9	9	2	2
R:R:F181	R:R:F388	17.15	2	Yes	Yes	9	9	2	1
R:R:F380	R:R:W384	5.01	2	Yes	Yes	9	9	2	1
R:R:F380	R:R:N418	4.83	2	Yes	Yes	9	9	2	2
R:R:F388	R:R:W384	8.02	2	Yes	Yes	9	9	1	1
R:R:G415	R:R:W384	8.44	0	No	Yes	9	9	2	1
R:R:N418	R:R:W384	10.17	2	Yes	Yes	9	9	2	1
L:L:?1	R:R:W384	5.51	2	Yes	Yes	0	9	0	1
R:R:F387	R:R:F388	6.43	2	Yes	Yes	9	9	1	1
R:R:F387	R:R:Y391	8.25	2	Yes	Yes	9	8	1	1
R:R:F387	R:R:F408	6.43	2	Yes	No	9	7	1	2
L:L:?1	R:R:F387	17.69	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:F388	5.9	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:Y391	6.62	2	Yes	Yes	0	8	0	1
R:R:F412	R:R:Q409	3.51	2	No	No	8	5	1	2
R:R:F412	R:R:Y416	9.28	2	No	Yes	8	8	1	1
L:L:?1	R:R:F412	17.69	2	Yes	No	0	8	0	1
R:R:W413	R:R:Y416	5.79	0	No	Yes	9	8	2	1
L:L:?1	R:R:Y416	8.51	2	Yes	Yes	0	8	0	1

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	5.00
Average Interaction Strength	9.38
Average Nodes In Shell	27.00
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

6K42

Amine

Adrenergic

Alpha2B

Homo sapiens

Dexmedetomidine

Gi1/Beta1/Gamma2

4.1

2020-04-15

10.1038/s41589-020-0492-2

A 2D representation of the interactions of CZX in 6K42
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:D92	R:R:I65	7	2	Yes	Yes	9	9	1	2
R:R:I65	R:R:Y416	3.63	2	Yes	Yes	9	8	2	1
R:R:S69	R:R:Y416	7.63	0	No	Yes	8	8	2	1
R:R:D92	R:R:F412	2.39	2	Yes	Yes	9	8	1	1
R:R:D92	R:R:Y416	8.05	2	Yes	Yes	9	8	1	1
L:L:?1	R:R:D92	9.85	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:V93	3.61	2	Yes	No	0	9	0	1
R:R:C96	R:R:W384	2.61	2	No	Yes	9	9	1	1
L:L:?1	R:R:C96	8.96	2	Yes	No	0	9	0	1
R:R:I143	R:R:T97	6.08	0	No	No	8	9	2	1
R:R:S180	R:R:T97	7.99	2	No	No	9	9	1	1
L:L:?1	R:R:T97	3.57	2	Yes	No	0	9	0	1
R:R:F380	R:R:I100	3.77	2	Yes	No	9	9	2	2
R:R:I100	R:R:W384	8.22	2	No	Yes	9	9	2	1
R:R:I173	R:R:Y391	13.3	0	No	No	8	8	2	1
R:R:S177	R:R:Y391	5.09	2	No	No	8	8	2	1
L:L:?1	R:R:S180	6.06	2	Yes	No	0	9	0	1
R:R:F181	R:R:F380	5.36	2	Yes	Yes	9	9	2	2
R:R:F181	R:R:W384	4.01	2	Yes	Yes	9	9	2	1
R:R:F181	R:R:F388	24.65	2	Yes	No	9	9	2	1
R:R:F380	R:R:W384	7.02	2	Yes	Yes	9	9	2	1
R:R:F388	R:R:W384	7.02	2	No	Yes	9	9	1	1
R:R:G415	R:R:W384	4.22	0	No	Yes	9	9	2	1
R:R:N418	R:R:W384	9.04	0	No	Yes	9	9	2	1
L:L:?1	R:R:W384	4.59	2	Yes	Yes	0	9	0	1
R:R:F387	R:R:F408	7.5	2	Yes	No	9	7	1	2
R:R:F387	R:R:F411	3.22	2	Yes	Yes	9	7	1	2
R:R:F387	R:R:F412	8.57	2	Yes	Yes	9	8	1	1
L:L:?1	R:R:F387	11.79	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:F388	3.93	2	Yes	No	0	9	0	1
L:L:?1	R:R:Y391	10.4	2	Yes	No	0	8	0	1
R:R:F412	R:R:Y416	14.44	2	Yes	Yes	8	8	1	1
L:L:?1	R:R:F412	14.74	2	Yes	Yes	0	8	0	1
R:R:W413	R:R:Y416	7.72	0	No	Yes	9	8	2	1
L:L:?1	R:R:Y416	5.67	2	Yes	Yes	0	8	0	1
R:R:S176	R:R:S180	1.63	0	No	No	9	9	2	1

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	5.00
Average Interaction Strength	7.56
Average Nodes In Shell	26.00
Average Hubs In Shell	10.00
Average Links In Shell	36.00
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 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7EJA

Amine

Adrenergic

Alpha2A

Homo sapiens

Dexmedetomidine

Go/Beta1/Gamma2

3.6

2022-04-13

10.1126/sciadv.abj5347

A 2D representation of the interactions of CZX in 7EJA
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:S105	R:R:V101	3.23	2	Yes	Yes	8	8	2	2
R:R:D128	R:R:V101	10.22	2	Yes	Yes	8	8	1	2
R:R:V101	R:R:Y431	6.31	2	Yes	Yes	8	8	2	1
R:R:I102	R:R:Y431	3.63	2	Yes	Yes	8	8	2	1
R:R:F427	R:R:S105	1.32	2	Yes	Yes	7	8	1	2
R:R:S105	R:R:Y431	2.54	2	Yes	Yes	8	8	2	1
R:R:C132	R:R:D128	1.56	2	No	Yes	7	8	1	1
R:R:D128	R:R:Y431	3.45	2	Yes	Yes	8	8	1	1
L:L:?1	R:R:D128	17.52	2	Yes	Yes	0	8	0	1
R:R:S180	R:R:V129	1.62	2	No	No	8	8	2	1
L:L:?1	R:R:V129	10.82	2	Yes	No	0	8	0	1
R:R:C132	R:R:W402	2.61	2	No	Yes	7	9	1	1
L:L:?1	R:R:C132	11.52	2	Yes	No	0	7	0	1
R:R:S219	R:R:T133	3.2	2	Yes	No	8	8	1	2
R:R:F398	R:R:I136	2.51	2	Yes	No	9	9	2	2
R:R:I136	R:R:W402	5.87	2	No	Yes	9	9	2	1
R:R:S215	R:R:Y211	5.09	2	No	Yes	9	8	1	2
R:R:V212	R:R:Y409	8.83	0	No	No	7	8	2	1
R:R:S215	R:R:S219	1.63	2	No	Yes	9	8	1	1
L:L:?1	R:R:S215	3.63	2	Yes	No	0	9	0	1
R:R:C216	R:R:F406	6.98	2	Yes	Yes	7	8	2	2
R:R:C216	R:R:Y409	4.03	2	Yes	No	7	8	2	1
R:R:F406	R:R:S219	2.64	2	Yes	Yes	8	8	2	1
L:L:?1	R:R:S219	1.21	2	Yes	Yes	0	8	0	1
R:R:F220	R:R:W402	2	2	Yes	Yes	9	9	2	1
R:R:F220	R:R:F406	21.43	2	Yes	Yes	9	8	2	2
R:R:F398	R:R:W402	2	2	Yes	Yes	9	9	2	1
R:R:F398	R:R:N433	1.21	2	Yes	Yes	9	9	2	2
R:R:F406	R:R:W402	7.02	2	Yes	Yes	8	9	2	1
R:R:G430	R:R:W402	8.44	0	No	Yes	8	9	2	1
R:R:N433	R:R:W402	10.17	2	Yes	Yes	9	9	2	1
L:L:?1	R:R:W402	1.84	2	Yes	Yes	0	9	0	1
R:R:F405	R:R:F423	9.65	2	Yes	No	8	6	1	2
R:R:F405	R:R:F426	4.29	2	Yes	Yes	8	7	1	2
R:R:F405	R:R:F427	8.57	2	Yes	Yes	8	7	1	1
L:L:?1	R:R:F405	13.76	2	Yes	Yes	0	8	0	1
L:L:?1	R:R:Y409	5.67	2	Yes	No	0	8	0	1
R:R:F427	R:R:Y431	9.28	2	Yes	Yes	7	8	1	1
L:L:?1	R:R:F427	24.57	2	Yes	Yes	0	7	0	1
L:L:?1	R:R:Y431	15.13	2	Yes	Yes	0	8	0	1

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	10.57
Average Nodes In Shell	27.00
Average Hubs In Shell	17.00
Average Links In Shell	40.00
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	10.33
Average Number Of Links With An Hub	5.33
Average Interaction Strength	9.17
Average Nodes In Shell	26.67
Average Hubs In Shell	12.67
Average Links In Shell	37.67
Average Links Mediated by Hubs In Shell	34.67

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)