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Ligand · 1CQ

1CQ · 4,4'-{3-[(4-hydroxyphenyl)amino]-1H-pyrazole-4,5-diyl}diphenol

1CQ, 4,4'-{3-[(4-hydroxyphenyl)amino]-1H-pyrazole-4,5-diyl}diphenol (C21 H17 N3 O3, 359.4 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 residues it…

Component
1CQ
Formula
C21 H17 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1CQ in 2 structures; the first of them:

  • 4KTL · Crystal structure of Mycobacterium tuberculosis CYP121 in complex with… · 1CQ A407 · binds MET62, THR65, THR77, VAL78, VAL82, VAL83, ASN85, LEU164 and 9 more
  • 4KTL · Crystal structure of mycobacterium tuberculosis CYP121 in complex with… · 1CQ A407 · binds MET62, THR65, THR77, VAL78, VAL82, VAL83, ASN85, LEU164 and 9 more

Residues it binds most

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

Found with

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

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