psnGPCR

Code	4J2
Name	(2R)-2-amino-3-(naphthalen-2-yl)propanoic acid
Synonyms
Identifier	(2R)-2-azanyl-3-naphthalen-2-yl-propanoic acid
Formula	C13 H13 N O2
Molecular Weight	215.248
SMILES	c1ccc2cc(ccc2c1)C[C@H](C(=O)O)N
PubChem	6927614
Formal Charge	0
Total Atoms	29
Total Chiral Atoms	1
Total Bonds	30
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

6W25

Peptide

Melanocortin

MC4

Homo sapiens

SHU9119

2.75

2020-04-29

10.1126/science.aaz8995

A 2D representation of the interactions of 4J2 in 6W25
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:F51	R:R:L288	4.87	6	Yes	No	6	4	2	1
R:R:I129	R:R:S96	4.64	0	No	No	5	6	1	2
R:R:L97	R:R:M292	5.65	0	No	No	6	5	1	2
L:L:?4	R:R:L97	5.86	1	Yes	No	0	6	0	1
R:R:E100	R:R:I125	9.56	1	Yes	No	5	5	1	2
R:R:D126	R:R:E100	6.5	1	Yes	Yes	4	5	1	1
R:R:E100	W:W:?100	9.73	1	Yes	Yes	5	0	1	1
L:L:?4	R:R:E100	14.58	1	Yes	Yes	0	5	0	1
R:R:D122	R:R:D126	10.65	1	No	Yes	8	4	2	1
R:R:D122	W:W:?100	7.48	1	No	Yes	8	0	2	1
L:L:R5	R:R:N123	6.03	1	Yes	No	0	5	1	2
R:R:D126	W:W:?100	7.48	1	Yes	Yes	4	0	1	1
L:L:?4	R:R:D126	16.08	1	Yes	Yes	0	4	0	1
L:L:R5	R:R:D126	19.06	1	Yes	Yes	0	4	1	1
L:L:?4	R:R:I129	19.32	1	Yes	No	0	5	0	1
R:R:C130	R:R:I185	4.91	0	Yes	No	4	5	1	2
L:L:?4	R:R:C130	6.71	1	Yes	Yes	0	4	0	1
L:L:R5	R:R:I185	7.52	1	Yes	No	0	5	1	2
L:L:R5	R:R:S188	10.54	1	Yes	No	0	4	1	2
L:L:W6	R:R:I194	8.22	1	Yes	No	0	4	1	2
R:R:F261	R:R:W258	7.02	1	Yes	Yes	5	7	1	2
R:R:F262	R:R:W258	8.02	1	Yes	Yes	5	7	2	2
R:R:I291	R:R:W258	17.62	1	No	Yes	6	7	2	2
R:R:F261	R:R:F262	7.5	1	Yes	Yes	5	5	1	2
R:R:F261	R:R:L265	8.53	1	Yes	No	5	5	1	2
R:R:F261	R:R:F284	5.36	1	Yes	Yes	5	3	1	2
R:R:F261	R:R:I291	7.54	1	Yes	No	5	6	1	2
L:L:?4	R:R:F261	14.43	1	Yes	Yes	0	5	0	1
L:L:W6	R:R:L265	9.11	1	Yes	No	0	5	1	2
L:L:W6	R:R:Y268	12.54	1	Yes	No	0	5	1	2
R:R:F284	R:R:L288	12.18	0	Yes	No	3	4	2	1
L:L:?4	R:R:L288	5.86	1	Yes	No	0	4	0	1
L:L:?4	W:W:?100	10.75	1	Yes	Yes	0	0	0	1
L:L:?4	L:L:R5	7.2	1	Yes	Yes	0	0	0	1
L:L:?4	L:L:W6	8.67	1	Yes	Yes	0	0	0	1
L:L:R5	L:L:W6	15.99	1	Yes	Yes	0	0	1	1
R:R:C130	R:R:F184	4.19	0	Yes	Yes	4	4	1	2
R:R:C130	R:R:G181	3.92	0	Yes	No	4	6	1	2

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	10.95
Average Nodes In Shell	28.00
Average Hubs In Shell	13.00
Average Links In Shell	38.00
Average Links Mediated by Hubs In Shell	36.00

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

7F4I

Peptide

Melanocortin

MC1

Homo sapiens

SHU9119

chim(NtGi1-Gs)/Beta1/Gamma2

3.1

2021-09-08

10.1038/s41422-021-00557-y

A 2D representation of the interactions of 4J2 in 7F4I
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:F45	R:R:L284	7.31	0	No	No	6	4	2	1
R:R:M128	R:R:V87	4.56	5	Yes	No	5	8	1	2
R:R:E94	R:R:I98	4.1	5	Yes	Yes	4	3	1	2
R:R:D121	R:R:E94	5.2	5	Yes	Yes	5	4	1	1
L:L:?4	R:R:E94	11.21	5	Yes	Yes	0	4	0	1
R:R:D117	R:R:D121	9.31	0	No	Yes	6	5	2	1
L:L:?4	R:R:D121	9.19	5	Yes	Yes	0	5	0	1
L:L:R5	R:R:D121	13.1	5	Yes	Yes	0	5	1	1
R:R:C125	R:R:S176	6.89	0	No	No	4	7	1	2
L:L:?4	R:R:C125	8.06	5	Yes	No	0	4	0	1
R:R:M128	R:R:W254	6.98	5	Yes	Yes	5	7	1	2
R:R:I287	R:R:M128	7.29	5	No	Yes	7	5	2	1
L:L:?4	R:R:M128	4.78	5	Yes	Yes	0	5	0	1
L:L:R5	R:R:I180	6.26	5	Yes	No	0	5	1	2
L:L:R5	R:R:Y183	16.46	5	Yes	No	0	3	1	2
L:L:W6	R:R:Y183	3.86	5	Yes	No	0	3	1	2
L:L:W6	R:R:L189	15.94	5	Yes	No	0	4	1	2
R:R:I287	R:R:W254	9.4	5	No	Yes	7	7	2	2
R:R:F257	R:R:F258	6.43	0	Yes	No	5	5	1	2
R:R:F257	R:R:L261	9.74	0	Yes	No	5	5	1	2
R:R:F257	R:R:F280	5.36	0	Yes	Yes	5	4	1	2
R:R:F257	R:R:I287	5.02	0	Yes	No	5	7	1	2
L:L:?4	R:R:F257	11.34	5	Yes	Yes	0	5	0	1
L:L:W6	R:R:L261	5.69	5	Yes	No	0	5	1	2
R:R:F280	R:R:L284	7.31	0	Yes	No	4	4	2	1
L:L:?4	R:R:L284	4.68	5	Yes	No	0	4	0	1
L:L:?4	L:L:R5	11.31	5	Yes	Yes	0	0	0	1
L:L:?4	L:L:W6	3.85	5	Yes	Yes	0	0	0	1
L:L:R5	L:L:W6	5	5	Yes	Yes	0	0	1	1
L:L:W6	R:R:L192	3.42	5	Yes	No	0	5	1	2
R:R:E94	R:R:I120	2.73	5	Yes	No	4	5	1	2

Statistics	Value
Average Number Of Links	8.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	8.05
Average Nodes In Shell	24.00
Average Hubs In Shell	10.00
Average Links In Shell	31.00
Average Links Mediated by Hubs In Shell	29.00

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

8IOD

Peptide

Melanocortin

MC5

Homo Sapiens

PG-901

chim(NtGi1-Gs)/Beta1/Gamma2

2.59

2023-09-20

10.1038/s41421-023-00586-4

A 2D representation of the interactions of 4J2 in 8IOD
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:?4	L:L:R5	12.33	5	Yes	Yes	0	0	0	1
L:L:?4	L:L:W6	6.75	5	Yes	Yes	0	0	0	1
L:L:?4	R:R:E92	6.73	5	Yes	Yes	0	6	0	1
L:L:?4	R:R:D119	9.19	5	Yes	Yes	0	4	0	1
L:L:?4	R:R:I122	18.11	5	Yes	Yes	0	5	0	1
L:L:?4	R:R:V126	6.3	5	Yes	No	0	6	0	1
L:L:?4	R:R:F254	12.37	5	Yes	Yes	0	5	0	1
L:L:?4	R:R:L281	4.68	5	Yes	No	0	3	0	1
I:I:?1	L:L:?4	8.6	5	Yes	Yes	0	0	1	0
L:L:R5	L:L:W6	4	5	Yes	Yes	0	0	1	1
L:L:R5	R:R:N116	4.82	5	Yes	No	0	4	1	2
L:L:R5	R:R:D119	19.06	5	Yes	Yes	0	4	1	1
L:L:R5	R:R:I178	7.52	5	Yes	Yes	0	4	1	2
L:L:R5	R:R:S181	9.22	5	Yes	No	0	2	1	2
I:I:?1	L:L:R5	4.46	5	Yes	Yes	0	0	1	1
L:L:W6	R:R:S181	6.18	5	Yes	No	0	2	1	2
L:L:W6	R:R:I187	10.57	5	Yes	No	0	5	1	2
L:L:W6	R:R:L258	4.56	5	Yes	No	0	4	1	2
R:R:F43	R:R:L281	4.87	25	Yes	No	6	3	2	1
R:R:V126	R:R:V85	4.81	0	No	No	6	8	1	2
R:R:I122	R:R:S88	9.29	5	Yes	No	5	6	1	2
R:R:I122	R:R:S89	9.29	5	Yes	No	5	6	1	2
R:R:E92	R:R:I96	4.1	5	Yes	Yes	6	4	1	2
R:R:D115	R:R:E92	3.9	5	Yes	Yes	8	6	2	1
R:R:E92	R:R:F118	7	5	Yes	Yes	6	6	1	2
R:R:D119	R:R:E92	9.09	5	Yes	Yes	4	6	1	1
R:R:E92	R:R:I122	4.1	5	Yes	Yes	6	5	1	1
I:I:?1	R:R:E92	7.3	5	Yes	Yes	0	6	1	1
R:R:D115	R:R:D119	11.98	5	Yes	Yes	8	4	2	1
I:I:?1	R:R:D115	7.48	5	Yes	Yes	0	8	1	2
R:R:I178	R:R:N116	4.25	5	Yes	No	4	4	2	2
R:R:D119	R:R:I178	4.2	5	Yes	Yes	4	4	1	2
I:I:?1	R:R:D119	7.48	5	Yes	Yes	0	4	1	1
R:R:F254	R:R:F255	4.29	0	Yes	No	5	5	1	2
R:R:F254	R:R:L258	9.74	0	Yes	No	5	4	1	2
R:R:F254	R:R:F277	6.43	0	Yes	Yes	5	4	1	2
R:R:F254	R:R:I284	6.28	0	Yes	No	5	7	1	2
R:R:F277	R:R:L281	14.61	0	Yes	No	4	3	2	1
L:L:W6	R:R:M261	3.49	5	Yes	No	0	4	1	2
L:L:W6	R:R:L190	3.42	5	Yes	No	0	5	1	2

Statistics	Value
Average Number Of Links	9.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	9.45
Average Nodes In Shell	27.00
Average Hubs In Shell	14.00
Average Links In Shell	40.00
Average Links Mediated by Hubs In Shell	39.00

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	9.00
Average Number Of Links With An Hub	6.67
Average Interaction Strength	9.48
Average Nodes In Shell	26.33
Average Hubs In Shell	12.33
Average Links In Shell	36.33
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 🔍)