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Ligand · 0OE

0OE · 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid

0OE, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid (C29 H23 Cl N6 O2, 523.0 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site…

Component
0OE
Formula
C29 H23 Cl N6 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

0OE in 6 structures; the first of them:

  • 4E91 · Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3 · 0OE A201 · binds TRP80, HIS84, MET96, ARG97, GLU98, TRP117, HIS120, PRO122 and 11 more
  • 4E92 · Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4 · 0OE A201 · binds TRP80, HIS84, MET96, GLU98, TRP117, HIS120, PRO122, PRO123 and 10 more
  • 4J93 · Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1 · 0OE A201 · binds TRP80, HIS84, MET96, ARG97, GLU98, TRP117, HIS120, PRO122 and 5 more
  • 4E91 · Crystal structure of the N-terminal domain of HIV-1 capsid in complex with inhibitor BD3 · 0OE A201 · binds TRP80, HIS84, MET96, ARG97, GLU98, TRP117, HIS120, PRO122 and 11 more
  • 4E92 · Crystal structure of the N-terminal domain of HIV-1 capsid in complex with inhibitor BM4 · 0OE A201 · binds TRP80, HIS84, MET96, GLU98, TRP117, HIS120, PRO122, PRO123 and 10 more
  • 4J93 · Crystal structure of the N-terminal domain of HIV-1 capsid in complex with inhibitor bi-1 · 0OE A201 · binds TRP80, HIS84, MET96, ARG97, GLU98, TRP117, HIS120, PRO122 and 5 more

Residues it binds most

PRO 10, ILE 10, HIS 10, TRP 10, GLU 10, ARG 10, MET 10, ASN 8 (residue and the binding sites it lines).

Found with

  • 0OF · (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
  • 0OG · 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid
  • 1JR · (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
  • IOD · Iodide ion

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