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Ligand · 60I

60I · [4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

60I, [4-[[3-(2,2-dimethylpropyl)-1~{H}-benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (C24 H34 N6 O, 422.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
60I
Formula
C24 H34 N6 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

60I in 4 structures; the first of them:

  • 7RN5 · Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen · 60I B501 · binds ALA129, TYR166, CYS95, LEU96, SER99, TRP102, TRP106, ALA151 and 10 more
  • 7RNI · Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen · 60I B502 · binds ALA129, TYR166, CYS95, LEU96, SER99, TRP102, TRP106, TYR154 and 7 more
  • 7RN5 · Discovery of an anion-dependent farnesyltransferase inhibitor from a phenotypic screen · 60I B501 · binds ALA129, TYR166, CYS95, LEU96, SER99, TRP102, TRP106, TYR154 and 6 more
  • 7RNI · Discovery of an anion-dependent farnesyltransferase inhibitor from a phenotypic screen · 60I B502 · binds ALA129, TYR166, CYS95, LEU96, SER99, TRP102, TRP106, TYR154 and 7 more

Residues it binds most

TYR 4, CYS 4, TRP 4, ALA 4, ARG 4, GLY 4, LEU 4, SER 4, HIS 1 (residue and the binding sites it lines).

Found with

  • ACE · Acetyl group
  • MG · Magnesium ion
  • ZN · Zinc ion
  • DMA · Dimethylallyl diphosphate
  • PPV · Pyrophosphate

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