psnGPCR

Code	NGI
Name	2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE
Synonyms
Identifier
Formula	C23 H29 N7 O6
Molecular Weight	499.52
SMILES
PubChem	3086599
Formal Charge	0
Total Atoms	65
Total Chiral Atoms	4
Total Bonds	68
Total Aromatic Bonds	16
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

4UG2

Nucleotide

Adenosine

A2A

Homo Sapiens

CGS21680

2.6

2015-04-08

doi.org/10.1124/mol.114.097360

A 2D representation of the interactions of NGI in 4UG2
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:?2	R:R:S67	7.01	1	Yes	No	0	3	0	1
L:L:?2	R:R:V84	4.35	1	Yes	No	0	6	0	1
L:L:?2	R:R:L85	5.66	1	Yes	Yes	0	4	0	1
L:L:?2	R:R:T88	8.6	1	Yes	No	0	6	0	1
L:L:?2	R:R:F168	36.97	1	Yes	Yes	0	4	0	1
L:L:?2	R:R:E169	13.15	1	Yes	No	0	3	0	1
L:L:?2	R:R:N181	4.81	1	Yes	Yes	0	5	0	1
L:L:?2	R:R:W246	9.97	1	Yes	Yes	0	8	0	1
L:L:?2	R:R:L249	12.93	1	Yes	No	0	5	0	1
L:L:?2	R:R:H250	3.75	1	Yes	Yes	0	6	0	1
L:L:?2	R:R:N253	8.02	1	Yes	No	0	5	0	1
L:L:?2	R:R:H264	12.76	1	Yes	Yes	0	2	0	1
L:L:?2	R:R:M270	9.08	1	Yes	Yes	0	4	0	1
L:L:?2	R:R:I274	8.33	1	Yes	Yes	0	4	0	1
L:L:?2	R:R:S277	3.51	1	Yes	No	0	7	0	1
L:L:?2	R:R:H278	6	1	Yes	Yes	0	6	0	1
R:R:E13	R:R:Y9	12.35	1	Yes	Yes	6	5	2	2
R:R:S67	R:R:Y9	6.36	0	No	Yes	3	5	1	2
R:R:I274	R:R:Y9	6.04	1	Yes	Yes	4	5	1	2
R:R:E13	R:R:I60	5.47	1	Yes	Yes	6	6	2	2
R:R:E13	R:R:I274	4.1	1	Yes	Yes	6	4	2	1
R:R:E13	R:R:H278	12.31	1	Yes	Yes	6	6	2	1
R:R:H278	R:R:I60	11.93	1	Yes	Yes	6	6	1	2
R:R:A63	R:R:V84	3.39	0	No	No	5	6	2	1
R:R:F168	R:R:I66	3.77	1	Yes	No	4	4	1	2
R:R:F168	R:R:L85	3.65	1	Yes	Yes	4	4	1	1
R:R:L85	R:R:Y176	3.52	1	Yes	Yes	4	6	1	2
R:R:L85	R:R:M177	4.24	1	Yes	Yes	4	6	1	2
R:R:L85	R:R:N181	6.87	1	Yes	Yes	4	5	1	1
R:R:T88	R:R:W246	4.85	1	No	Yes	6	8	1	1
R:R:F242	R:R:I92	8.79	1	Yes	No	9	7	2	2
R:R:I92	R:R:W246	9.4	1	No	Yes	7	8	2	1
R:R:F168	R:R:V172	14.42	1	Yes	No	4	3	1	2
R:R:F168	R:R:M177	7.46	1	Yes	Yes	4	6	1	2
R:R:E169	R:R:H264	8.62	1	No	Yes	3	2	1	1
R:R:E169	R:R:M270	4.06	1	No	Yes	3	4	1	1
R:R:M174	R:R:N253	7.01	0	No	No	4	5	2	1
R:R:M177	R:R:Y176	3.59	1	Yes	Yes	6	6	2	2
R:R:N181	R:R:Y176	10.47	1	Yes	Yes	5	6	1	2
R:R:M177	R:R:N181	8.41	1	Yes	Yes	6	5	2	1
R:R:C185	R:R:N181	6.3	0	No	Yes	5	5	2	1
R:R:H250	R:R:N181	5.1	1	Yes	Yes	6	5	1	1
R:R:F182	R:R:V186	5.24	1	No	No	5	7	2	2
R:R:F182	R:R:H250	14.71	1	No	Yes	5	6	2	1
R:R:V186	R:R:W246	3.68	1	No	Yes	7	8	2	1
R:R:H250	R:R:V186	9.69	1	Yes	No	6	7	1	2
R:R:F242	R:R:W246	12.03	1	Yes	Yes	9	8	2	1
R:R:F242	R:R:N280	4.83	1	Yes	Yes	9	9	2	2
R:R:S277	R:R:W246	7.41	1	No	Yes	7	8	1	1
R:R:N280	R:R:W246	11.3	1	Yes	Yes	9	8	2	1
R:R:H264	R:R:T256	8.21	1	Yes	No	2	4	1	2
R:R:H264	R:R:M270	6.57	1	Yes	Yes	2	4	1	1
R:R:H278	R:R:I274	3.98	1	Yes	Yes	6	4	1	1
R:R:H278	R:R:S277	4.18	1	Yes	No	6	7	1	1
R:R:A273	R:R:L249	3.15	0	No	No	6	5	2	1
R:R:I252	R:R:M270	2.92	0	No	Yes	5	4	2	1
R:R:A81	R:R:F168	2.77	0	No	Yes	5	4	2	1

Statistics	Value
Average Number Of Links	16.00
Average Number Of Links With An Hub	9.00
Average Interaction Strength	9.68
Average Nodes In Shell	36.00
Average Hubs In Shell	17.00
Average Links In Shell	57.00
Average Links Mediated by Hubs In Shell	53.00

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

4UHR

Nucleotide

Adenosine

A2A

Homo Sapiens

CGS21680

2.6

2015-04-08

doi.org/10.1124/mol.114.097360

A 2D representation of the interactions of NGI in 4UHR
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:V84	4.35	1	Yes	No	0	6	0	1
L:L:?1	R:R:L85	4.85	1	Yes	Yes	0	4	0	1
L:L:?1	R:R:T88	11.19	1	Yes	No	0	6	0	1
L:L:?1	R:R:F168	35.55	1	Yes	Yes	0	4	0	1
L:L:?1	R:R:E169	10.83	1	Yes	No	0	3	0	1
L:L:?1	R:R:N181	4.81	1	Yes	Yes	0	5	0	1
L:L:?1	R:R:W246	11.97	1	Yes	Yes	0	8	0	1
L:L:?1	R:R:L249	12.12	1	Yes	No	0	5	0	1
L:L:?1	R:R:H250	4.5	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:N253	8.02	1	Yes	No	0	5	0	1
L:L:?1	R:R:I274	9.17	1	Yes	No	0	4	0	1
L:L:?1	R:R:S277	5.26	1	Yes	No	0	7	0	1
L:L:?1	R:R:H278	6.75	1	Yes	Yes	0	6	0	1
R:R:E13	R:R:Y9	14.59	1	Yes	Yes	6	5	2	2
R:R:I274	R:R:Y9	3.63	1	No	Yes	4	5	1	2
R:R:E13	R:R:I60	4.1	1	Yes	Yes	6	6	2	2
R:R:E13	R:R:H278	14.77	1	Yes	Yes	6	6	2	1
R:R:H278	R:R:I60	10.61	1	Yes	Yes	6	6	1	2
R:R:A63	R:R:V84	3.39	0	No	No	5	6	2	1
R:R:F168	R:R:I66	3.77	1	Yes	No	4	4	1	2
R:R:F168	R:R:L85	6.09	1	Yes	Yes	4	4	1	1
R:R:L85	R:R:Y176	3.52	1	Yes	Yes	4	6	1	2
R:R:L85	R:R:N181	4.12	1	Yes	Yes	4	5	1	1
R:R:T88	R:R:W246	6.06	1	No	Yes	6	8	1	1
R:R:F242	R:R:I92	6.28	1	Yes	No	9	7	2	2
R:R:I92	R:R:W246	9.4	1	No	Yes	7	8	2	1
R:R:F168	R:R:V172	13.11	1	Yes	No	4	3	1	2
R:R:F168	R:R:M177	6.22	1	Yes	No	4	6	1	2
R:R:E169	R:R:H264	7.39	0	No	No	3	2	1	2
R:R:M174	R:R:N253	7.01	0	No	No	4	5	2	1
R:R:M177	R:R:Y176	3.59	1	No	Yes	6	6	2	2
R:R:N181	R:R:Y176	10.47	1	Yes	Yes	5	6	1	2
R:R:M177	R:R:N181	8.41	1	No	Yes	6	5	2	1
R:R:C185	R:R:N181	4.72	0	No	Yes	5	5	2	1
R:R:H250	R:R:N181	3.83	1	Yes	Yes	6	5	1	1
R:R:F182	R:R:V186	3.93	1	Yes	No	5	7	2	2
R:R:F182	R:R:H250	11.31	1	Yes	Yes	5	6	2	1
R:R:V186	R:R:W246	3.68	1	No	Yes	7	8	2	1
R:R:H250	R:R:V186	9.69	1	Yes	No	6	7	1	2
R:R:F242	R:R:W246	9.02	1	Yes	Yes	9	8	2	1
R:R:F242	R:R:N280	6.04	1	Yes	Yes	9	9	2	2
R:R:H250	R:R:W246	4.23	1	Yes	Yes	6	8	1	1
R:R:S277	R:R:W246	9.88	1	No	Yes	7	8	1	1
R:R:N280	R:R:W246	10.17	1	Yes	Yes	9	8	2	1
R:R:H250	R:R:L249	3.86	1	Yes	No	6	5	1	1
R:R:H250	R:R:N253	3.83	1	Yes	No	6	5	1	1
R:R:H278	R:R:I274	3.98	1	Yes	No	6	4	1	1
R:R:H278	R:R:S277	8.37	1	Yes	No	6	7	1	1
R:R:A273	R:R:L249	3.15	0	No	No	6	5	2	1
R:R:E169	R:R:M270	2.71	0	No	No	3	4	1	2

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	9.95
Average Nodes In Shell	32.00
Average Hubs In Shell	14.00
Average Links In Shell	50.00
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 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

8UGW

Nucleotide

Adenosine

A2A

Homo Sapiens

PubChem 3086599

3.9

2024-12-18

doi.org/10.1038/s41557-024-01719-2

A 2D representation of the interactions of NGI in 8UGW
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:L85	3.23	1	Yes	No	0	4	0	1
L:L:?1	R:R:T88	8.6	1	Yes	No	0	6	0	1
L:L:?1	R:R:L167	5.66	1	Yes	No	0	4	0	1
L:L:?1	R:R:F168	29.15	1	Yes	Yes	0	4	0	1
L:L:?1	R:R:E169	10.83	1	Yes	No	0	3	0	1
L:L:?1	R:R:N181	4.01	1	Yes	No	0	5	0	1
L:L:?1	R:R:W246	7.31	1	Yes	Yes	0	8	0	1
L:L:?1	R:R:L249	8.89	1	Yes	No	0	5	0	1
L:L:?1	R:R:N253	9.62	1	Yes	No	0	5	0	1
L:L:?1	R:R:H264	15.76	1	Yes	Yes	0	2	0	1
L:L:?1	R:R:M270	7.43	1	Yes	No	0	4	0	1
L:L:?1	R:R:I274	4.17	1	Yes	No	0	4	0	1
L:L:?1	R:R:H278	8.26	1	Yes	Yes	0	6	0	1
R:R:E13	R:R:Y9	16.83	0	Yes	Yes	6	5	2	2
R:R:I274	R:R:Y9	7.25	1	No	Yes	4	5	1	2
R:R:E13	R:R:H278	8.62	0	Yes	Yes	6	6	2	1
R:R:A63	R:R:H278	2.93	0	No	Yes	5	6	2	1
R:R:F168	R:R:I66	3.77	1	Yes	No	4	4	1	2
R:R:L85	R:R:M177	2.83	0	No	Yes	4	6	1	2
R:R:N181	R:R:Q89	5.28	0	No	Yes	5	5	1	2
R:R:F242	R:R:I92	6.28	1	Yes	No	9	7	2	2
R:R:I92	R:R:W246	4.7	1	No	Yes	7	8	2	1
R:R:D170	R:R:L167	9.5	0	No	No	4	4	2	1
R:R:F168	R:R:V172	13.11	1	Yes	Yes	4	3	1	2
R:R:F168	R:R:M177	7.46	1	Yes	Yes	4	6	1	2
R:R:E169	R:R:H264	8.62	1	No	Yes	3	2	1	1
R:R:M177	R:R:V172	3.04	1	Yes	Yes	6	3	2	2
R:R:M174	R:R:N253	4.21	0	No	No	4	5	2	1
R:R:M174	R:R:T256	3.01	0	No	No	4	4	2	2
R:R:M177	R:R:N181	7.01	1	Yes	No	6	5	2	1
R:R:F242	R:R:W246	13.03	1	Yes	Yes	9	8	2	1
R:R:F242	R:R:N280	6.04	1	Yes	Yes	9	9	2	2
R:R:H250	R:R:W246	5.29	1	No	Yes	6	8	2	1
R:R:S277	R:R:W246	4.94	0	No	Yes	7	8	2	1
R:R:N280	R:R:W246	6.78	1	Yes	Yes	9	8	2	1
R:R:A273	R:R:L249	3.15	0	No	No	6	5	2	1
R:R:L249	R:R:S277	6.01	0	No	No	5	7	1	2
R:R:I252	R:R:M270	2.92	0	No	No	5	4	2	1
R:R:H264	R:R:T256	5.48	1	Yes	No	2	4	1	2
R:R:H264	R:R:M270	3.94	1	Yes	No	2	4	1	1
R:R:H278	R:R:I274	5.3	1	Yes	No	6	4	1	1

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	9.46
Average Nodes In Shell	31.00
Average Hubs In Shell	12.00
Average Links In Shell	41.00
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 🔍)

Statistics	Value
Average Number Of Links	14.00
Average Number Of Links With An Hub	6.33
Average Interaction Strength	9.70
Average Nodes In Shell	33.00
Average Hubs In Shell	14.33
Average Links In Shell	49.33
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 🔍)