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Ligand · BA8

BA8 · 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol

BA8, 4-[2-(2-chlorophenyl)pyrazol-3-yl]-6-(2-pyridin-2-ylethyl)benzene-1,3-diol (C22 H18 Cl N3 O2, 391.9 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…

Component
BA8
Formula
C22 H18 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BA8 in 2 structures; the first of them:

  • 6ELP · Estimation of relative drug-target residence times by random acceleration molecular… · BA8 A301 · binds LEU48, ASN51, SER52, ASP54, ALA55, ASP93, ILE96, GLY97 and 7 more
  • 6ELP · Estimation of relative drug-target residence times by random acceleration molecular… · BA8 A301 · binds LEU48, ASN51, SER52, ASP54, ALA55, ASP93, ILE96, GLY97 and 7 more

Residues it binds most

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

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