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Ligand · GVC

GVC · 1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid

GVC, 1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid (C10 H7 Cl2 N3 O2, 272.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
GVC
Formula
C10 H7 Cl2 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

GVC in 2 structures; the first of them:

  • 2UUE · REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors · GVC E1433 · binds TRP217, GLU220, VAL221, GLU224, GLN254, ILE281, THR282, ASP283 and 2 more
  • 2UUE · Replace: a strategy for iterative design of cyclin binding groove inhibitors · GVC E1433 · binds TRP217, GLU220, VAL221, GLU224, GLN254, ILE281, THR282, ASP283 and 2 more

Residues it binds most

GLU 4, ARG 4, ASP 4, GLN 4, ILE 4, LEU 4, THR 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • MTZ · 4-methyl-5-{(2E)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
  • NH2 · Amino group

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