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Ligand · BAW

BAW · 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol

BAW, 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol (C18 H17 F N2 O2, 312.3 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
BAW
Formula
C18 H17 F N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BAW in 2 structures; the first of them:

  • 6ELO · Estimation of relative drug-target residence times by random acceleration molecular… · BAW A301 · binds LEU48, ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96 and 9 more
  • 6ELO · Estimation of relative drug-target residence times by random acceleration molecular… · BAW A301 · binds LEU48, ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97 and 8 more

Residues it binds most

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

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