CodeYVF
Namemethyl (2R)-2-({(1M)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonyl}amino)-2-(thiophen-2-yl)propanoate
Synonyms
Identifiermethyl (2~{R})-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbonylamino]-2-thiophen-2-yl-propanoate
FormulaC20 H18 F3 N3 O3 S
Molecular Weight437.435
SMILESCc1cc(nn1c2cccc(c2)C(F)(F)F)C(=O)N[C@@](C)(c3cccs3)C(=O)OC
PubChem170838490
Formal Charge0
Total Atoms48
Total Chiral Atoms1
Total Bonds50
Total Aromatic Bonds16
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8GAG A Lipid Cannabinoid CB1 Homo sapiens YVF - 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
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub11.00
Average Interaction Strength6.83
Average Nodes In Shell34.00
Average Hubs In Shell14.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell47.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub11.00
Average Interaction Strength6.83
Average Nodes In Shell34.00
Average Hubs In Shell14.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell47.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)