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Ligand · BMC

BMC · 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

BMC, 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (C12 H10 N2 O4, 246.2 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
BMC
Formula
C12 H10 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

BMC in 2 structures; the first of them:

  • 3AO3 · Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase · BMC A1 · binds TYR83, TRP108, ASN184, HIS185, ARG187, SER195, GLY197, GLU198 and 8 more
  • 3AO3 · Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase · BMC A1 · binds TYR83, TRP108, ASN184, HIS185, ARG187, SER195, GLY197, GLU198 and 8 more

Residues it binds most

ILE 4, ARG 4, TRP 4, GLY 4, ASN 4, GLU 4, HIS 4, PRO 4, SER 4, TYR 4 (residue and the binding sites it lines).

Found with

  • CD · Cadmium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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