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Ligand · 1JR

1JR · (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one

1JR, (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one (C16 H12 N4 O, 276.3 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
1JR
Formula
C16 H12 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1JR in 2 structures; the first of them:

  • 4J93 · Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1 · 1JR A202 · binds ASN53, LEU56, ASN57, MET66, LEU69, LYS70, ILE73, ASN74 and 4 more
  • 4J93 · Crystal structure of the N-terminal domain of HIV-1 capsid in complex with inhibitor bi-1 · 1JR A202 · binds ASN53, LEU56, ASN57, MET66, LEU69, LYS70, ILE73, ASN74 and 4 more

Residues it binds most

ASN 2, LEU 2, ALA 2, GLY 2, ILE 2, LYS 2, MET 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

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

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