psnGPCR

Code	P9X
Name	(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid
Synonyms	Acifran
Identifier	(5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid
Formula	C12 H10 O4
Molecular Weight	218.205
SMILES	C[C@@]1(C(=O)C=C(O1)C(=O)O)c2ccccc2
PubChem	76969700
Formal Charge	0
Total Atoms	26
Total Chiral Atoms	1
Total Bonds	27
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

8IHI

Alicarboxylic acid

Hydroxycarboxylic acid

HCA2

Homo Sapiens

Acifran

Gi1/Beta1/Gamma2

3.11

2023-08-30

10.1038/s41467-023-41650-7

A 2D representation of the interactions of P9X in 8IHI
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:L34	R:R:L83	4.15	2	No	Yes	8	6	2	1
R:R:L34	R:R:Y284	5.86	2	No	Yes	8	7	2	1
R:R:E37	R:R:Y284	4.49	0	No	Yes	7	7	2	1
R:R:C79	R:R:L107	9.52	0	No	Yes	6	6	2	1
R:R:L83	R:R:Y87	3.52	2	Yes	Yes	6	6	1	2
R:R:L107	R:R:L83	5.54	2	Yes	Yes	6	6	1	1
R:R:L83	R:R:Y284	3.52	2	Yes	Yes	6	7	1	1
L:L:?1	R:R:L83	9.76	2	Yes	Yes	0	6	0	1
R:R:N86	R:R:W91	7.91	0	No	Yes	5	4	1	2
R:R:N86	R:R:W93	7.91	0	No	Yes	5	9	1	2
L:L:?1	R:R:N86	3.63	2	Yes	No	0	5	0	1
R:R:W91	R:R:Y87	4.82	2	Yes	Yes	4	6	2	2
R:R:F277	R:R:W91	11.02	0	Yes	Yes	5	4	1	2
L:L:?1	R:R:L104	10.98	2	Yes	No	0	5	0	1
R:R:L107	R:R:Y284	3.52	2	Yes	Yes	6	7	1	1
L:L:?1	R:R:L107	6.1	2	Yes	Yes	0	6	0	1
R:R:E196	R:R:R111	4.65	0	No	Yes	5	8	2	1
R:R:R111	R:R:T283	5.17	2	Yes	Yes	8	8	1	2
R:R:R111	R:R:Y284	3.09	2	Yes	Yes	8	7	1	1
L:L:?1	R:R:R111	10.71	2	Yes	Yes	0	8	0	1
R:R:F180	R:R:H189	11.31	2	Yes	Yes	3	5	1	2
R:R:E190	R:R:F180	3.5	2	Yes	Yes	4	3	2	1
R:R:F180	R:R:F193	10.72	2	Yes	No	3	6	1	2
R:R:F180	R:R:R251	4.28	2	Yes	Yes	3	5	1	2
R:R:F180	R:R:F276	7.5	2	Yes	Yes	3	4	1	2
R:R:F180	R:R:L280	3.65	2	Yes	No	3	5	1	2
L:L:?1	R:R:F180	12.88	2	Yes	Yes	0	3	0	1
R:R:E190	R:R:R251	12.79	2	Yes	Yes	4	5	2	2
R:R:F193	R:R:R251	3.21	2	No	Yes	6	5	2	2
R:R:F276	R:R:R251	16.03	2	Yes	Yes	4	5	2	2
R:R:D273	R:R:F277	7.17	0	No	Yes	4	5	2	1
R:R:F276	R:R:F277	8.57	2	Yes	Yes	4	5	2	1
R:R:F276	R:R:L280	4.87	2	Yes	No	4	5	2	2
L:L:?1	R:R:F277	3.22	2	Yes	Yes	0	5	0	1
R:R:L280	R:R:T283	5.9	2	No	Yes	5	8	2	2
R:R:T283	R:R:Y284	4.99	2	Yes	Yes	8	7	2	1
L:L:?1	R:R:Y284	6.2	2	Yes	Yes	0	7	0	1
R:R:L80	R:R:Y284	2.34	0	No	Yes	8	7	2	1

Statistics	Value
Average Number Of Links	8.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	7.94
Average Nodes In Shell	25.00
Average Hubs In Shell	15.00
Average Links In Shell	38.00
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

8IHJ

Alicarboxylic acid

Hydroxycarboxylic acid

HCA3

Homo Sapiens

Acifran

Gi1/Beta1/Gamma2

3.07

2023-08-30

10.1038/s41467-023-41650-7

A 2D representation of the interactions of P9X in 8IHJ
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:L30	R:R:Y87	9.38	3	Yes	Yes	6	5	2	2
R:R:F277	R:R:L30	3.65	3	Yes	Yes	5	6	1	2
R:R:L34	R:R:L80	6.92	0	No	Yes	8	8	2	2
R:R:L34	R:R:V83	2.98	0	No	Yes	8	6	2	1
R:R:F107	R:R:L76	3.65	3	Yes	No	6	6	1	2
R:R:L80	R:R:Y284	3.52	3	Yes	Yes	8	7	2	1
R:R:V83	R:R:Y87	3.79	3	Yes	Yes	6	5	1	2
R:R:F107	R:R:V83	2.62	3	Yes	Yes	6	6	1	1
L:L:?1	R:R:V83	5.49	3	Yes	Yes	0	6	0	1
R:R:S91	R:R:Y86	7.63	0	No	Yes	4	5	2	1
R:R:W93	R:R:Y86	8.68	3	Yes	Yes	9	5	2	1
R:R:V176	R:R:Y86	2.52	3	Yes	Yes	1	5	2	1
R:R:C177	R:R:Y86	4.03	3	No	Yes	9	5	2	1
R:R:I178	R:R:Y86	3.63	3	No	Yes	3	5	1	1
L:L:?1	R:R:Y86	3.24	3	Yes	Yes	0	5	0	1
R:R:F277	R:R:Y87	8.25	3	Yes	Yes	5	5	1	2
R:R:C177	R:R:W93	3.92	3	No	Yes	9	9	2	2
L:L:?1	R:R:V103	2.75	3	Yes	No	0	5	0	1
R:R:L104	R:R:S179	7.51	3	No	Yes	5	5	1	1
L:L:?1	R:R:L104	11.48	3	Yes	No	0	5	0	1
R:R:F107	R:R:Y284	8.25	3	Yes	Yes	6	7	1	1
L:L:?1	R:R:F107	20.21	3	Yes	Yes	0	6	0	1
R:R:E196	R:R:R111	3.49	0	Yes	No	6	7	2	1
R:R:R111	R:R:T283	5.17	0	No	No	7	8	1	2
L:L:?1	R:R:R111	11.2	3	Yes	No	0	7	0	1
R:R:F277	R:R:I178	2.51	3	Yes	No	5	3	1	1
L:L:?1	R:R:I178	5.26	3	Yes	No	0	3	0	1
R:R:F180	R:R:S179	3.96	3	Yes	Yes	4	5	1	1
R:R:H189	R:R:S179	2.79	3	Yes	Yes	5	5	2	1
L:L:?1	R:R:S179	2.77	3	Yes	Yes	0	5	0	1
R:R:F180	R:R:H189	5.66	3	Yes	Yes	4	5	1	2
R:R:F180	R:R:F193	5.36	3	Yes	Yes	4	5	1	2
R:R:F180	R:R:F276	10.72	3	Yes	Yes	4	4	1	2
L:L:?1	R:R:F180	12.35	3	Yes	Yes	0	4	0	1
R:R:E196	R:R:F193	7	0	Yes	Yes	6	5	2	2
L:L:?1	R:R:F277	6.74	3	Yes	Yes	0	5	0	1
R:R:L280	R:R:T283	2.95	3	No	No	5	8	1	2
R:R:L280	R:R:Y284	3.52	3	No	Yes	5	7	1	1
L:L:?1	R:R:L280	10.21	3	Yes	No	0	5	0	1
L:L:?1	R:R:Y284	3.24	3	Yes	Yes	0	7	0	1
R:R:C79	R:R:F107	1.4	0	No	Yes	6	6	2	1

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	7.91
Average Nodes In Shell	28.00
Average Hubs In Shell	17.00
Average Links In Shell	41.00
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 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

8IHK

Alicarboxylic acid

Hydroxycarboxylic acid

HCA3

Homo Sapiens

Acifran

3.21

2023-08-30

10.1038/s41467-023-41650-7

A 2D representation of the interactions of P9X in 8IHK
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:L34	R:R:Y87	3.52	0	No	Yes	8	5	2	2
R:R:L34	R:R:Y284	3.52	0	No	Yes	8	7	2	1
R:R:L76	R:R:Y284	5.86	0	No	Yes	6	7	2	1
R:R:C79	R:R:F107	4.19	0	No	Yes	6	6	2	1
R:R:V83	R:R:Y87	5.05	1	No	Yes	6	5	1	2
R:R:F107	R:R:V83	6.55	1	Yes	No	6	6	1	1
L:L:?1	R:R:V83	17.38	1	Yes	No	0	6	0	1
R:R:S91	R:R:Y86	10.17	0	No	Yes	4	5	2	1
R:R:W93	R:R:Y86	4.82	1	Yes	Yes	9	5	2	1
R:R:V176	R:R:Y86	5.05	0	No	Yes	1	5	2	1
R:R:I178	R:R:Y86	6.04	1	No	Yes	3	5	1	1
L:L:?1	R:R:Y86	4.89	1	Yes	Yes	0	5	0	1
R:R:V103	R:R:W93	6.13	0	No	Yes	5	9	1	2
L:L:?1	R:R:V103	4.97	1	Yes	No	0	5	0	1
R:R:L104	R:R:S179	6.01	0	No	No	5	5	1	2
L:L:?1	R:R:L104	6.92	1	Yes	No	0	5	0	1
R:R:F107	R:R:Y284	7.22	1	Yes	Yes	6	7	1	1
L:L:?1	R:R:F107	24.36	1	Yes	Yes	0	6	0	1
R:R:E196	R:R:R111	8.14	0	No	No	6	7	2	1
R:R:R111	R:R:T283	3.88	0	No	No	7	8	1	2
L:L:?1	R:R:R111	11.14	1	Yes	No	0	7	0	1
L:L:?1	R:R:I178	4.76	1	Yes	No	0	3	0	1
R:R:L280	R:R:Y284	7.03	1	No	Yes	5	7	1	1
L:L:?1	R:R:L280	8.08	1	Yes	No	0	5	0	1
L:L:?1	R:R:Y284	8.79	1	Yes	Yes	0	7	0	1
R:R:F82	R:R:V103	2.62	0	No	No	6	5	2	1

Statistics	Value
Average Number Of Links	9.00
Average Number Of Links With An Hub	3.00
Average Interaction Strength	10.14
Average Nodes In Shell	21.00
Average Hubs In Shell	6.00
Average Links In Shell	26.00
Average Links Mediated by Hubs In Shell	22.00

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	9.67
Average Number Of Links With An Hub	5.33
Average Interaction Strength	8.66
Average Nodes In Shell	24.67
Average Hubs In Shell	12.67
Average Links In Shell	35.00
Average Links Mediated by Hubs In Shell	33.00

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)