psnGPCR

Code	YVF
Name	methyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate
Synonyms
Identifier
Formula	C20 H18 F3 N3 O3 S
Molecular Weight	437.435
SMILES
PubChem	170838490
Formal Charge	0
Total Atoms	48
Total Chiral Atoms	1
Total Bonds	50
Total Aromatic Bonds	16
Networks	5

This ligand is also present in the following 5 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

8GAG

Lipid

Cannabinoid

CB1

Homo Sapiens

PubChem 170838490

Gi1/Beta1/Gamma2

3.3

2024-02-28

To be published

A 2D representation of the interactions of YVF in 8GAG
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:F174	R:R:I119	3.77	1	Yes	No	5	5	1	2
R:R:F200	R:R:G166	3.01	1	Yes	No	7	8	1	2
R:R:I169	R:R:V196	3.07	0	No	No	5	7	2	1
R:R:F170	R:R:F174	3.22	1	Yes	Yes	7	5	1	1
R:R:F170	R:R:V196	5.24	1	Yes	No	7	7	1	1
R:R:F170	R:R:F200	3.22	1	Yes	Yes	7	7	1	1
R:R:F170	R:R:S383	2.64	1	Yes	No	7	6	1	1
L:L:?1	R:R:F170	10.81	1	Yes	Yes	0	7	0	1
R:R:K192	R:R:Y172	2.39	1	No	No	6	7	1	2
R:R:K192	R:R:S173	6.12	1	No	No	6	4	1	1
L:L:?1	R:R:S173	10	1	Yes	No	0	4	0	1
R:R:F174	R:R:H178	7.92	1	Yes	No	5	4	1	2
L:L:?1	R:R:F174	3.6	1	Yes	Yes	0	5	0	1
R:R:F177	R:R:H178	7.92	1	Yes	No	4	4	1	2
R:R:F177	R:R:F189	5.36	1	Yes	Yes	4	9	1	1
R:R:F177	R:R:P269	5.78	1	Yes	Yes	4	3	1	1
L:L:?1	R:R:F177	3.6	1	Yes	Yes	0	4	0	1
R:R:D184	R:R:F189	3.58	0	No	Yes	2	9	2	1
R:R:F189	R:R:L193	4.87	1	Yes	No	9	4	1	1
R:R:F189	R:R:P269	10.11	1	Yes	Yes	9	3	1	1
R:R:F189	R:R:H270	10.18	1	Yes	No	9	3	1	2
L:L:?1	R:R:F189	2.7	1	Yes	Yes	0	9	0	1
L:L:?1	R:R:K192	4.17	1	Yes	No	0	6	0	1
R:R:I271	R:R:L193	2.85	1	Yes	No	3	4	1	1
L:L:?1	R:R:L193	9.22	1	Yes	No	0	4	0	1
L:L:?1	R:R:V196	5.51	1	Yes	No	0	7	0	1
R:R:I247	R:R:T197	3.04	0	No	Yes	5	6	2	1
R:R:T197	R:R:W279	2.43	1	Yes	Yes	6	6	1	1
L:L:?1	R:R:T197	12	1	Yes	Yes	0	6	0	1
R:R:C386	R:R:F200	9.78	0	No	Yes	7	7	2	1
L:L:?1	R:R:F200	2.7	1	Yes	Yes	0	7	0	1
R:R:I247	R:R:Y275	8.46	0	No	Yes	5	7	2	1
R:R:L250	R:R:Y275	9.38	0	No	Yes	5	7	2	1
R:R:P251	R:R:Y275	9.74	0	No	Yes	6	7	2	1
R:R:F268	R:R:I267	10.05	1	Yes	Yes	5	4	1	2
R:R:F268	R:R:I271	10.05	1	Yes	Yes	5	3	1	1
R:R:F268	R:R:L276	7.31	1	Yes	No	5	5	1	1
R:R:F268	R:R:M363	2.49	1	Yes	No	5	6	1	2
L:L:?1	R:R:F268	15.32	1	Yes	Yes	0	5	0	1
R:R:H270	R:R:P269	4.58	1	No	Yes	3	3	2	1
L:L:?1	R:R:P269	2.43	1	Yes	Yes	0	3	0	1
R:R:I271	R:R:Y275	3.63	1	Yes	Yes	3	7	1	1
L:L:?1	R:R:I271	3.17	1	Yes	Yes	0	3	0	1
L:L:?1	R:R:Y275	5.2	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:L276	4.1	1	Yes	No	0	5	0	1
R:R:T283	R:R:W279	7.28	1	Yes	Yes	8	6	2	1
R:R:M363	R:R:W279	2.33	0	No	Yes	6	6	2	1
L:L:?1	R:R:W279	16.01	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:S383	5.55	1	Yes	No	0	6	0	1
R:R:G194	R:R:T197	1.82	0	No	Yes	6	6	2	1
R:R:L276	R:R:V367	1.49	1	No	No	5	4	1	2

Statistics	Value
Average Number Of Links	17.00
Average Number Of Links With An Hub	11.00
Average Interaction Strength	6.83
Average Nodes In Shell	34.00
Average Hubs In Shell	14.00
Average Links In Shell	51.00
Average Links Mediated by Hubs In Shell	47.00

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

9DGI

Lipid

Cannabinoid

CB1

Homo Sapiens

Z8526711350

3.35

2025-04-30

doi.org/10.1038/s41467-025-57136-7

A 2D representation of the interactions of YVF in 9DGI
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:F170	6.31	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:S173	11.11	1	Yes	No	0	4	0	1
L:L:?1	R:R:F174	3.6	1	Yes	Yes	0	5	0	1
L:L:?1	R:R:F177	7.21	1	Yes	Yes	0	4	0	1
L:L:?1	R:R:F189	8.11	1	Yes	Yes	0	9	0	1
L:L:?1	R:R:K192	2.09	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:L193	6.14	1	Yes	No	0	4	0	1
L:L:?1	R:R:V196	4.41	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:T197	10.9	1	Yes	No	0	6	0	1
L:L:?1	R:R:F200	4.51	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:F268	23.43	1	Yes	Yes	0	5	0	1
L:L:?1	R:R:L276	2.05	1	Yes	No	0	5	0	1
L:L:?1	R:R:W279	11.8	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:S383	6.66	1	Yes	No	0	6	0	1
R:R:F177	R:R:M109	4.98	1	Yes	No	4	3	1	2
R:R:F174	R:R:I119	3.77	1	Yes	No	5	5	1	2
R:R:F200	R:R:G166	1.51	1	Yes	No	7	8	1	2
R:R:I169	R:R:S173	1.55	0	No	No	5	4	2	1
R:R:F170	R:R:F174	4.29	1	Yes	Yes	7	5	1	1
R:R:F170	R:R:V196	3.93	1	Yes	Yes	7	7	1	1
R:R:F170	R:R:S383	5.28	1	Yes	No	7	6	1	1
R:R:F170	R:R:M384	2.49	1	Yes	Yes	7	5	1	2
R:R:F170	R:R:L387	2.44	1	Yes	Yes	7	7	1	2
R:R:K192	R:R:S173	3.06	1	Yes	No	6	4	1	1
R:R:F174	R:R:H178	6.79	1	Yes	No	5	4	1	2
R:R:F174	R:R:M384	2.49	1	Yes	Yes	5	5	1	2
R:R:F177	R:R:H178	9.05	1	Yes	No	4	4	1	2
R:R:F177	R:R:F189	2.14	1	Yes	Yes	4	9	1	1
R:R:D184	R:R:F189	10.75	0	No	Yes	2	9	2	1
R:R:D184	R:R:K192	5.53	0	No	Yes	2	6	2	1
R:R:F189	R:R:P269	5.78	1	Yes	No	9	3	1	2
R:R:L193	R:R:V196	1.49	1	No	Yes	4	7	1	1
R:R:I271	R:R:L193	2.85	0	Yes	No	3	4	2	1
R:R:T197	R:R:V196	1.59	1	No	Yes	6	7	1	1
R:R:F200	R:R:V196	3.93	1	Yes	Yes	7	7	1	1
R:R:A248	R:R:T197	1.68	0	No	No	7	6	2	1
R:R:C386	R:R:F200	6.98	0	No	Yes	7	7	2	1
R:R:F268	R:R:I267	2.51	1	Yes	Yes	5	4	1	2
R:R:F379	R:R:I267	7.54	1	Yes	Yes	4	4	2	2
R:R:F268	R:R:I271	6.28	1	Yes	Yes	5	3	1	2
R:R:F268	R:R:L276	3.65	1	Yes	No	5	5	1	1
R:R:F268	R:R:F379	3.22	1	Yes	Yes	5	4	1	2
R:R:L276	R:R:V367	1.49	1	No	No	5	4	1	2
R:R:T283	R:R:W279	13.34	0	No	Yes	8	6	2	1
R:R:M363	R:R:W279	3.49	0	No	Yes	6	6	2	1
R:R:F379	R:R:M363	2.49	1	Yes	No	4	6	2	2
R:R:D176	R:R:K192	1.38	0	No	Yes	3	6	2	1
R:R:T201	R:R:W279	1.21	0	No	Yes	6	6	2	1

Statistics	Value
Average Number Of Links	14.00
Average Number Of Links With An Hub	9.00
Average Interaction Strength	7.74
Average Nodes In Shell	34.00
Average Hubs In Shell	15.00
Average Links In Shell	48.00
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

9EGO

Lipid

Cannabinoid

CB1

Homo Sapiens

YVF

Gi1/Beta1/Gamma2

3.2

2025-04-30

doi.org/10.1038/s41467-025-57136-7

A 2D representation of the interactions of YVF in 9EGO
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:F170	4.51	6	Yes	Yes	0	7	0	1
L:L:?1	R:R:S173	6.66	6	Yes	No	0	4	0	1
L:L:?1	R:R:F174	2.7	6	Yes	Yes	0	5	0	1
L:L:?1	R:R:F177	3.6	6	Yes	No	0	4	0	1
L:L:?1	R:R:F189	5.41	6	Yes	Yes	0	9	0	1
L:L:?1	R:R:K192	2.09	6	Yes	Yes	0	6	0	1
L:L:?1	R:R:L193	6.14	6	Yes	No	0	4	0	1
L:L:?1	R:R:V196	2.2	6	Yes	No	0	7	0	1
L:L:?1	R:R:T197	10.9	6	Yes	No	0	6	0	1
L:L:?1	R:R:F268	25.23	6	Yes	Yes	0	5	0	1
L:L:?1	R:R:L276	2.05	6	Yes	No	0	5	0	1
L:L:?1	R:R:W279	10.11	6	Yes	Yes	0	6	0	1
L:L:?1	R:R:S383	5.55	6	Yes	No	0	6	0	1
R:R:F177	R:R:M109	8.71	0	No	No	4	3	1	2
R:R:F174	R:R:I119	3.77	6	Yes	No	5	5	1	2
R:R:F170	R:R:F174	4.29	6	Yes	Yes	7	5	1	1
R:R:F170	R:R:V196	3.93	6	Yes	No	7	7	1	1
R:R:F170	R:R:S383	5.28	6	Yes	No	7	6	1	1
R:R:F170	R:R:L387	2.44	6	Yes	Yes	7	7	1	2
R:R:K192	R:R:S173	9.18	6	Yes	No	6	4	1	1
R:R:F174	R:R:H178	10.18	6	Yes	No	5	4	1	2
R:R:A380	R:R:F174	2.77	0	No	Yes	4	5	2	1
R:R:F174	R:R:M384	2.49	6	Yes	Yes	5	5	1	2
R:R:D176	R:R:K192	2.77	0	No	Yes	3	6	2	1
R:R:F177	R:R:H178	10.18	0	No	No	4	4	1	2
R:R:F189	R:R:L190	2.44	6	Yes	No	9	5	1	2
R:R:F189	R:R:L193	2.44	6	Yes	No	9	4	1	1
R:R:F189	R:R:P269	5.78	6	Yes	No	9	3	1	2
R:R:I271	R:R:L193	4.28	0	No	No	3	4	2	1
R:R:F200	R:R:V196	2.62	0	No	No	7	7	2	1
R:R:A248	R:R:T197	3.36	0	No	No	7	6	2	1
R:R:F268	R:R:I267	2.51	6	Yes	Yes	5	4	1	2
R:R:F379	R:R:I267	7.54	6	Yes	Yes	4	4	2	2
R:R:F268	R:R:I271	2.51	6	Yes	No	5	3	1	2
R:R:F268	R:R:L276	2.44	6	Yes	No	5	5	1	1
R:R:F268	R:R:F379	3.22	6	Yes	Yes	5	4	1	2
R:R:T283	R:R:W279	8.49	0	No	Yes	8	6	2	1
R:R:M363	R:R:W279	3.49	0	No	Yes	6	6	2	1
R:R:F379	R:R:M363	2.49	6	Yes	No	4	6	2	2
R:R:L387	R:R:M384	5.65	0	Yes	Yes	7	5	2	2
R:R:I169	R:R:S173	1.55	0	No	No	5	4	2	1
R:R:L276	R:R:V367	1.49	6	No	No	5	4	1	2
R:R:F191	R:R:K192	1.24	0	No	Yes	5	6	2	1
R:R:T201	R:R:W279	1.21	0	No	Yes	6	6	2	1
R:R:D184	R:R:F189	1.19	0	No	Yes	2	9	2	1

Statistics	Value
Average Number Of Links	13.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	6.70
Average Nodes In Shell	35.00
Average Hubs In Shell	11.00
Average Links In Shell	45.00
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	14.60
Average Number Of Links With An Hub	8.00
Average Interaction Strength	7.02
Average Nodes In Shell	34.00
Average Hubs In Shell	12.20
Average Links In Shell	47.00
Average Links Mediated by Hubs In Shell	41.40

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)