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Ligand · 91S

91S · (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one

91S, (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one (C21 H19 Cl F2 N4 O2, 432.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
91S
Formula
C21 H19 Cl F2 N4 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

91S in 2 structures; the first of them:

  • 5V9U · Crystal structure of small molecule ars-1620 covalently bound to K-RAS G12C · 91S A204 · binds VAL9, GLY10, CYS12, LYS16, PRO34, ALA59, GLY60, GLN61 and 10 more
  • 7KKH · P1A4 Fab in complex with ARS1620 · 91S B301 · binds TYR48, THR106, TRP107, VAL114, HIS35, ASN57, TYR59, ASP99 and 4 more

Residues it binds most

GLN 3, TYR 3, VAL 3, ARG 2, GLY 2, ASP 3, HIS 3, ALA 2, CYS 2, GLU 2 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • CA · Calcium ion
  • NA · Sodium ion
  • GOL · Glycerol

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