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Ligand · 69R

69R · 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol

69R, 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol (C19 H17 N5 O2, 347.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
69R
Formula
C19 H17 N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

69R in 1 structure; the first of them:

  • 5IBH · Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h · 69R A405 · binds GLU64, ALA67, ALA68, GLY69, ALA70, PRO71, LEU287, ALA288 and 3 more

Residues it binds most

ALA 2, GLY 2, THR 2, VAL 1, ASN 1, LEU 2, ASP 1, GLN 1, GLU 1, LYS 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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