CodeVT5
Name(2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one
Synonyms
Identifier(2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one
FormulaC18 H19 Cl F N O3
Molecular Weight351.8
SMILESCC(=O)C1=C(C(=O)N([C@@H]1C2CCCCC2)c3ccc(cc3F)Cl)O
PubChem12093170
Formal Charge0
Total Atoms43
Total Chiral Atoms1
Total Bonds45
Total Aromatic Bonds6
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
5T1A A Protein Chemokine CCR2 Homo sapiens - PubChem 68764898; PubChem 12093170 - 2.81 2016-12-14 10.1038/nature20605

A 2D representation of the interactions of VT5 in 5T1A
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:L67 W:W:?2 4.07 0 No Yes 7 0 1 0
R:R:C75 R:R:T77 5.07 0 No No 7 7 2 1
R:R:T77 W:W:?2 6.49 0 No Yes 7 0 1 0
R:R:L134 R:R:L81 5.54 0 No No 9 8 2 1
R:R:L81 W:W:?2 9.15 0 No Yes 8 0 1 0
R:R:V244 R:R:V308 4.81 0 No No 8 6 1 2
R:R:V244 W:W:?2 6.56 0 No Yes 8 0 1 0
R:R:F312 R:R:Y305 9.28 2 Yes No 8 9 1 1
R:R:Y305 W:W:?2 12.91 2 No Yes 9 0 1 0
R:R:G309 W:W:?2 6.28 0 No Yes 8 0 1 0
R:R:K311 R:R:R314 7.43 2 Yes No 6 4 1 2
R:R:K311 R:R:Y315 4.78 2 Yes Yes 6 5 1 2
R:R:K311 W:W:?2 18.64 2 Yes Yes 6 0 1 0
R:R:F312 R:R:L316 8.53 2 Yes No 8 7 1 2
R:R:F312 W:W:?2 14.31 2 Yes Yes 8 0 1 0
R:R:R314 R:R:Y315 5.14 2 No Yes 4 5 2 2
R:R:V63 R:R:Y305 3.79 0 No No 9 9 2 1
R:R:K311 R:R:R237 3.71 2 Yes No 6 4 1 2
R:R:A306 R:R:F312 2.77 0 No Yes 7 8 2 1
R:R:G309 R:R:R313 1.5 0 No No 8 8 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub2.00
Average Interaction Strength9.80
Average Nodes In Shell19.00
Average Hubs In Shell4.00
Average Links In Shell20.00
Average Links Mediated by Hubs In Shell15.00
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 Links8.00
Average Number Of Links With An Hub2.00
Average Interaction Strength9.80
Average Nodes In Shell19.00
Average Hubs In Shell4.00
Average Links In Shell20.00
Average Links Mediated by Hubs In Shell15.00

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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 🔍)