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Ligand · V52

V52 · 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014, 18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one

V52, 1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014, 18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one (C24 H23 Cl N6 O2, 462.9 g/mol), in the MolNFT structures on GenesisL1…

Component
V52
Formula
C24 H23 Cl N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

V52 in 2 structures; the first of them:

  • 7O83 · KRasG12C ligand complex · V52 A203 · binds VAL9, GLY10, ALA11, CYS12, LYS16, PRO34, THR58, ALA59 and 14 more
  • 7O83 · KRASG12C ligand complex · V52 A203 · binds VAL9, GLY10, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 12 more

Residues it binds most

ARG 4, GLN 4, GLU 4, GLY 4, TYR 4, VAL 4, ALA 4, ASP 4, CYS 4, LYS 4 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • CA · Calcium ion
  • MG · Magnesium ion

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