psnGPCR

Code	HZR
Name	JNJ-40411813
Synonyms	JNJ-40411813
Identifier	1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
Formula	C20 H25 Cl N2 O
Molecular Weight	344.878
SMILES	CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3
PubChem	25195461
Formal Charge	0
Total Atoms	49
Total Chiral Atoms	0
Total Bonds	51
Total Aromatic Bonds	6
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

7E9G

Aminoacid

Metabotropic glutamate

mGlu2; mGlu2

Homo sapiens

Eglumetad

JNJ-40411813

Gi1/Beta1/Gamma2

3.5

2021-06-23

10.1038/s41586-021-03495-2

A 2D representation of the interactions of HZR in 7E9G
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:F623	R:R:M619	9.95	6	No	Yes	8	7	2	2
R:R:L639	R:R:M619	2.83	6	Yes	Yes	8	7	1	2
R:R:F623	R:R:L639	2.44	6	No	Yes	8	8	2	1
R:R:F623	R:R:M794	4.98	6	No	No	8	9	2	2
R:R:G640	R:R:L639	3.42	0	No	Yes	6	8	2	1
R:R:F643	R:R:L639	4.87	6	Yes	Yes	8	8	1	1
R:R:L639	W:W:?902	2.17	6	Yes	Yes	8	0	1	0
R:R:F643	R:R:Y647	7.22	6	Yes	Yes	8	6	1	1
R:R:F643	R:R:N735	4.83	6	Yes	No	8	7	1	1
R:R:F643	R:R:W773	7.02	6	Yes	Yes	8	9	1	1
R:R:F643	W:W:?902	16.2	6	Yes	Yes	8	0	1	0
R:R:N735	R:R:Y647	9.3	6	No	Yes	7	6	1	1
R:R:L738	R:R:Y647	2.34	0	No	Yes	9	6	2	1
R:R:I739	R:R:Y647	7.25	6	No	Yes	8	6	2	1
R:R:W773	R:R:Y647	20.26	6	Yes	Yes	9	6	1	1
R:R:Y647	W:W:?902	9.17	6	Yes	Yes	6	0	1	0
R:R:M728	R:R:N722	2.8	0	No	No	7	6	1	2
R:R:H723	R:R:R724	4.51	0	No	No	5	8	2	1
R:R:R724	R:R:S784	5.27	6	No	No	8	6	1	1
R:R:R724	W:W:?902	1.9	6	No	Yes	8	0	1	0
R:R:M728	W:W:?902	12.17	0	No	Yes	7	0	1	0
R:R:L732	R:R:L777	4.15	6	No	No	8	7	1	1
R:R:L732	W:W:?902	14.08	6	No	Yes	8	0	1	0
R:R:N735	W:W:?902	12.89	6	No	Yes	7	0	1	0
R:R:I739	R:R:W773	2.35	6	No	Yes	8	9	2	1
R:R:T769	R:R:W773	4.85	0	Yes	Yes	8	9	2	1
R:R:S801	R:R:W773	8.65	0	No	Yes	9	9	2	1
R:R:W773	W:W:?902	9.8	6	Yes	Yes	9	0	1	0
R:R:L777	R:R:P778	3.28	6	No	No	7	8	1	2
R:R:L777	W:W:?902	3.25	6	No	Yes	7	0	1	0
R:R:F780	R:R:Q790	19.91	0	No	Yes	8	7	1	2
R:R:F780	R:R:M794	7.46	0	No	No	8	9	1	2
R:R:F780	W:W:?902	15.25	0	No	Yes	8	0	1	0
R:R:Q790	R:R:S784	8.66	0	Yes	No	7	6	2	1
R:R:S784	W:W:?902	3.52	6	No	Yes	6	0	1	0

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	9.13
Average Nodes In Shell	24.00
Average Hubs In Shell	8.00
Average Links In Shell	35.00
Average Links Mediated by Hubs In Shell	28.00

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

8JD3

Aminoacid

Metabotropic glutamate

mGlu2; mGlu3

Homo sapiens

Glutamate

HZR; PEF

Gi1/Beta1/Gamma2

3.3

2023-06-21

10.1038/s41422-023-00830-2

A 2D representation of the interactions of HZR in 8JD3
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:F623	R:R:M619	4.98	2	Yes	Yes	8	7	2	2
R:R:L639	R:R:M619	2.83	2	Yes	Yes	8	7	1	2
R:R:F623	R:R:L639	4.87	2	Yes	Yes	8	8	2	1
R:R:F623	R:R:M794	4.98	2	Yes	Yes	8	9	2	2
R:R:L639	R:R:M728	5.65	2	Yes	Yes	8	7	1	1
R:R:L639	W:W:?1	6.5	2	Yes	Yes	8	0	1	0
R:R:G640	R:R:Q690	3.29	2	No	Yes	6	9	1	2
R:R:G640	R:R:S731	1.86	2	No	Yes	6	7	1	1
R:R:G640	W:W:?1	2.68	2	No	Yes	6	0	1	0
R:R:F643	R:R:Y647	7.22	2	Yes	Yes	8	6	1	1
R:R:F643	R:R:N735	2.42	2	Yes	Yes	8	7	1	1
R:R:F643	R:R:W773	7.02	2	Yes	Yes	8	9	1	1
R:R:F643	R:R:V798	3.93	2	Yes	No	8	8	1	2
R:R:F643	R:R:S801	1.32	2	Yes	Yes	8	9	1	2
R:R:F643	W:W:?1	12.39	2	Yes	Yes	8	0	1	0
R:R:Q690	R:R:S644	5.78	2	Yes	Yes	9	8	2	2
R:R:S644	R:R:Y734	2.54	2	Yes	Yes	8	8	2	2
R:R:N735	R:R:S644	2.98	2	Yes	Yes	7	8	1	2
R:R:L738	R:R:S644	1.5	2	Yes	Yes	9	8	2	2
R:R:N735	R:R:Y647	6.98	2	Yes	Yes	7	6	1	1
R:R:L738	R:R:Y647	2.34	2	Yes	Yes	9	6	2	1
R:R:I739	R:R:Y647	13.3	2	Yes	Yes	8	6	1	1
R:R:T769	R:R:Y647	3.75	2	No	Yes	8	6	2	1
R:R:Y647	W:W:?1	9.17	2	Yes	Yes	6	0	1	0
R:R:Q690	R:R:S731	8.66	2	Yes	Yes	9	7	2	1
R:R:Q690	R:R:Y734	5.64	2	Yes	Yes	9	8	2	2
R:R:N735	R:R:Q690	1.32	2	Yes	Yes	7	9	1	2
R:R:D725	R:R:M728	2.77	2	Yes	Yes	4	7	1	1
R:R:D725	R:R:F780	14.33	2	Yes	Yes	4	8	1	1
R:R:D725	R:R:M794	4.16	2	Yes	Yes	4	9	1	2
R:R:D725	W:W:?1	16.99	2	Yes	Yes	4	0	1	0
R:R:M728	R:R:S731	1.53	2	Yes	Yes	7	7	1	1
R:R:M728	W:W:?1	4.42	2	Yes	Yes	7	0	1	0
R:R:N735	R:R:S731	1.49	2	Yes	Yes	7	7	1	1
R:R:S731	W:W:?1	3.52	2	Yes	Yes	7	0	1	0
R:R:L732	W:W:?1	13	0	No	Yes	8	0	1	0
R:R:N735	R:R:Y734	2.33	2	Yes	Yes	7	8	1	2
R:R:L738	R:R:Y734	9.38	2	Yes	Yes	9	8	2	2
R:R:N735	W:W:?1	11.82	2	Yes	Yes	7	0	1	0
R:R:I739	R:R:T743	1.52	2	Yes	Yes	8	8	1	2
R:R:I739	R:R:M766	8.75	2	Yes	Yes	8	9	1	2
R:R:I739	R:R:T769	1.52	2	Yes	No	8	8	1	2
R:R:I739	W:W:?1	2.23	2	Yes	Yes	8	0	1	0
R:R:M766	R:R:T743	3.01	2	Yes	Yes	9	8	2	2
R:R:F776	R:R:W773	7.02	2	Yes	Yes	9	9	1	1
R:R:S797	R:R:W773	3.71	2	No	Yes	9	9	2	1
R:R:S801	R:R:W773	3.71	2	Yes	Yes	9	9	2	1
R:R:W773	W:W:?1	22.28	2	Yes	Yes	9	0	1	0
R:R:F776	R:R:F780	4.29	2	Yes	Yes	9	8	1	1
R:R:F776	R:R:T793	5.19	2	Yes	Yes	9	8	1	2
R:R:F776	R:R:M794	3.73	2	Yes	Yes	9	9	1	2
R:R:F776	R:R:S797	3.96	2	Yes	No	9	9	1	2
R:R:F776	W:W:?1	3.81	2	Yes	Yes	9	0	1	0
R:R:F780	R:R:Q790	4.68	2	Yes	Yes	8	7	1	2
R:R:F780	R:R:M794	2.49	2	Yes	Yes	8	9	1	2
R:R:F780	W:W:?1	4.77	2	Yes	Yes	8	0	1	0
R:R:Q790	R:R:T793	1.42	2	Yes	Yes	7	8	2	2
R:R:M794	R:R:T793	1.51	2	Yes	Yes	9	8	2	2
R:R:A726	W:W:?1	1.23	0	No	Yes	2	0	1	0
R:R:V736	W:W:?1	1.17	0	No	Yes	5	0	1	0

Statistics	Value
Average Number Of Links	15.00
Average Number Of Links With An Hub	11.00
Average Interaction Strength	7.73
Average Nodes In Shell	31.00
Average Hubs In Shell	24.00
Average Links In Shell	60.00
Average Links Mediated by Hubs In Shell	60.00

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

8JD5

Aminoacid

Metabotropic glutamate

mGlu2; mGlu4

Homo sapiens

Glutamate

BQI; HZE; PEF

Gi1/Beta1/Gamma2

3.6

2023-06-21

10.1038/s41422-023-00830-2

A 2D representation of the interactions of HZR in 8JD5
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:L639	R:R:M619	4.24	3	Yes	No	8	7	1	2
R:R:F643	R:R:L639	2.44	3	Yes	Yes	8	8	1	1
R:R:L639	R:R:M728	2.83	3	Yes	No	8	7	1	1
R:R:L639	W:W:?1	3.25	3	Yes	Yes	8	0	1	0
R:R:F643	R:R:Y647	3.09	3	Yes	Yes	8	6	1	1
R:R:F643	R:R:N735	2.42	3	Yes	Yes	8	7	1	1
R:R:F643	R:R:W773	2	3	Yes	Yes	8	9	1	1
R:R:F643	R:R:V798	7.87	3	Yes	No	8	8	1	2
R:R:F643	R:R:S801	3.96	3	Yes	No	8	9	1	2
R:R:F643	W:W:?1	10.48	3	Yes	Yes	8	0	1	0
R:R:N735	R:R:S644	2.98	3	Yes	No	7	8	1	2
R:R:C646	R:R:Y647	2.69	0	Yes	Yes	6	6	2	1
R:R:I739	R:R:Y647	7.25	3	Yes	Yes	8	6	1	1
R:R:M766	R:R:Y647	2.39	3	Yes	Yes	9	6	2	1
R:R:T769	R:R:Y647	6.24	3	No	Yes	8	6	1	1
R:R:V805	R:R:Y647	3.79	0	No	Yes	7	6	2	1
R:R:Y647	W:W:?1	2.75	3	Yes	Yes	6	0	1	0
R:R:D725	R:R:Y781	4.6	3	No	Yes	4	6	1	1
R:R:D725	W:W:?1	11.68	3	No	Yes	4	0	1	0
R:R:M728	W:W:?1	6.64	3	No	Yes	7	0	1	0
R:R:L732	W:W:?1	13	0	No	Yes	8	0	1	0
R:R:L738	R:R:N735	4.12	0	No	Yes	9	7	2	1
R:R:N735	W:W:?1	7.52	3	Yes	Yes	7	0	1	0
R:R:I739	R:R:L738	2.85	3	Yes	No	8	9	1	2
R:R:I739	R:R:M766	4.37	3	Yes	Yes	8	9	1	2
R:R:I739	W:W:?1	3.35	3	Yes	Yes	8	0	1	0
R:R:T769	R:R:W773	2.43	3	No	Yes	8	9	1	1
R:R:T769	W:W:?1	2.31	3	No	Yes	8	0	1	0
R:R:F776	R:R:W773	6.01	3	Yes	Yes	9	9	2	1
R:R:S797	R:R:W773	2.47	3	No	Yes	9	9	2	1
R:R:V798	R:R:W773	2.45	3	No	Yes	8	9	2	1
R:R:S801	R:R:W773	6.18	3	No	Yes	9	9	2	1
R:R:W773	W:W:?1	20.5	3	Yes	Yes	9	0	1	0
R:R:F776	R:R:F780	2.14	3	Yes	Yes	9	8	2	1
R:R:F776	R:R:M794	2.49	3	Yes	No	9	9	2	2
R:R:F776	R:R:S797	7.93	3	Yes	No	9	9	2	2
R:R:L777	W:W:?1	3.25	0	No	Yes	7	0	1	0
R:R:L777	X:X:?2	3.43	0	No	Yes	7	0	1	2
R:R:F780	R:R:Y781	5.16	3	Yes	Yes	8	6	1	1
R:R:F780	R:R:Q790	14.05	3	Yes	No	8	7	1	2
R:R:F780	R:R:M794	2.49	3	Yes	No	8	9	1	2
R:R:F780	W:W:?1	9.53	3	Yes	Yes	8	0	1	0
R:R:Y781	S:S:W587	4.82	3	Yes	Yes	6	5	1	2
R:R:Y781	W:W:?1	8.26	3	Yes	Yes	6	0	1	0
S:S:W587	X:X:?2	8.46	3	Yes	Yes	5	0	2	2
R:R:L732	R:R:V736	1.49	0	No	No	8	5	1	2

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	8.00
Average Interaction Strength	7.89
Average Nodes In Shell	29.00
Average Hubs In Shell	14.00
Average Links In Shell	46.00
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 🔍)

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	7.67
Average Interaction Strength	8.25
Average Nodes In Shell	28.00
Average Hubs In Shell	15.33
Average Links In Shell	47.00
Average Links Mediated by Hubs In Shell	44.33

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)