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Ligand · 91G

91G · N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide

91G, N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide (C30 H33 Cl N6 O3, 561.1 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
91G
Formula
C30 H33 Cl N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

91G in 1 structure; the first of them:

  • 5V9O · KRAS G12C inhibitor · 91G A203 · binds VAL9, GLY10, CYS12, LYS16, PRO34, THR58, ALA59, GLY60 and 13 more

Residues it binds most

ARG 1, ASP 1, GLN 1, GLU 1, GLY 1, TYR 1, ALA 1, CYS 1, HIS 1, ILE 1 (residue and the binding sites it lines).

Found with

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

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