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Ligand · CII

CII · N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide

CII, N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide (C17 H25 N3 O2, 303.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
CII
Formula
C17 H25 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

CII in 2 structures; the first of them:

  • 2W0A · CYP51 of M. tuberculosis bound to an inhibitor… · CII A1450 · binds GLN72, ALA73, TYR76, PHE78, MET79, PHE83, PHE89, PHE255 and 5 more
  • 2W0A · CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-methyl-1… · CII A1450 · binds GLN72, ALA73, TYR76, PHE78, MET79, PHE83, PHE89, PHE255 and 5 more

Residues it binds most

PHE 2, ALA 2, GLN 2, HIS 2, LEU 2, MET 2, THR 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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