CodeVPX
NameVorapaxar
Synonyms[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-Fluorophényl)-2-pyridinyl]vinyl}-1-méthyl-3-oxododécahydronaphto[2,3-c]furan-6-yl]carbamate d'éthyle
Identifierethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxidanylidene-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate
FormulaC29 H33 F N2 O4
Molecular Weight492.582
SMILESCCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C
PubChem10077130
Formal Charge0
Total Atoms69
Total Chiral Atoms7
Total Bonds73
Total Aromatic Bonds12
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
3VW7 A Peptide Proteinase-activated PAR1 Homo sapiens - Vorapaxar; Na - 2.2 2012-12-12 10.1038/nature11701

A 2D representation of the interactions of VPX in 3VW7
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:Y350 R:R:Y95 10.92 0 Yes Yes 4 5 1 2
R:R:Q242 R:R:T179 5.67 2 Yes No 4 5 2 2
R:R:H255 R:R:T179 16.43 2 Yes No 4 5 1 2
R:R:F182 R:R:Y183 13.41 0 Yes Yes 6 5 2 1
R:R:F182 R:R:V357 11.8 0 Yes No 6 6 2 2
R:R:L237 R:R:Y183 4.69 2 No Yes 4 5 1 1
R:R:L333 R:R:Y183 5.86 2 No Yes 5 5 1 1
R:R:Y183 R:R:Y353 4.96 2 Yes Yes 5 5 1 1
R:R:Y183 W:W:?1 11.37 2 Yes Yes 5 0 1 0
R:R:P236 R:R:V235 3.53 0 No No 7 4 1 2
R:R:L237 R:R:Q242 3.99 2 No Yes 4 4 1 2
R:R:L237 W:W:?1 14.17 2 No Yes 4 0 1 0
R:R:H255 R:R:Q242 12.36 2 Yes Yes 4 4 1 2
R:R:L262 R:R:Q242 6.65 0 No Yes 3 4 1 2
R:R:H255 R:R:Y353 8.71 2 Yes Yes 4 5 1 1
R:R:H255 W:W:?1 5.54 2 Yes Yes 4 0 1 0
R:R:V257 R:R:Y350 5.05 0 No Yes 3 4 2 1
R:R:L258 W:W:?1 5.22 0 No Yes 5 0 1 0
R:R:T261 R:R:Y337 3.75 0 No Yes 1 5 2 1
R:R:L262 W:W:?1 8.2 0 No Yes 3 0 1 0
R:R:F271 R:R:L263 4.87 2 Yes No 5 4 1 2
R:R:L263 R:R:Y337 9.38 2 No Yes 4 5 2 1
R:R:A268 R:R:Y337 5.34 0 No Yes 3 5 2 1
R:R:F271 R:R:S275 7.93 2 Yes No 5 5 1 2
R:R:F271 R:R:L333 4.87 2 Yes No 5 5 1 1
R:R:F271 R:R:Y337 4.13 2 Yes Yes 5 5 1 1
R:R:F271 W:W:?1 13.78 2 Yes Yes 5 0 1 0
R:R:S272 R:R:Y337 3.82 0 No Yes 4 5 2 1
R:R:C356 R:R:L332 3.17 0 No No 6 5 2 1
R:R:L332 W:W:?1 10.44 0 No Yes 5 0 1 0
R:R:L333 W:W:?1 5.96 2 No Yes 5 0 1 0
R:R:H336 R:R:Y337 15.24 2 No Yes 4 5 1 1
R:R:H336 R:R:S344 4.18 2 No No 4 3 1 2
R:R:H336 W:W:?1 12.47 2 No Yes 4 0 1 0
R:R:Y337 W:W:?1 7.58 2 Yes Yes 5 0 1 0
R:R:A349 R:R:T346 3.36 0 No No 4 1 1 2
R:R:A349 W:W:?1 5.09 0 No Yes 4 0 1 0
R:R:Y350 W:W:?1 3.16 0 Yes Yes 4 0 1 0
R:R:V357 R:R:Y353 7.57 0 No Yes 6 5 2 1
R:R:Y353 W:W:?1 17.05 2 Yes Yes 5 0 1 0
R:R:K240 R:R:L262 2.82 0 No No 4 3 2 1
R:R:P236 W:W:?1 2.65 0 No Yes 7 0 1 0
R:R:T345 R:R:Y350 2.5 0 No Yes 1 4 2 1
R:R:A352 W:W:?1 1.7 0 No Yes 5 0 1 0
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.29
Average Nodes In Shell33.00
Average Hubs In Shell10.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell39.00
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 Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.29
Average Nodes In Shell33.00
Average Hubs In Shell10.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell39.00

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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 🔍)