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Ligand · 937

937 · 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide

937, 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide (C24 H27 F3 N8 O3, 532.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
937
Formula
C24 H27 F3 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

937 in 2 structures; the first of them:

  • 2YAC · Crystal structure of Polo-like kinase 1 in complex with NMS-P937 · 937 A501 · binds ARG57, LEU59, GLY60, LYS61, CYS67, GLU69, ALA80, LYS82 and 14 more
  • 2YAC · Crystal structure of polo-like kinase 1 in complex with nms-P937 · 937 A501 · binds ARG57, LEU59, GLY60, LYS61, CYS67, GLU69, ALA80, LYS82 and 14 more

Residues it binds most

ARG 2, LEU 2, GLU 2, CYS 2, GLY 2, LYS 2, ALA 2, ASP 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • TLA · L(+)-tartaric acid

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