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Ligand · B9O

B9O · N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide

B9O, N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide (C17 H24 N2 O2 S, 320.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
B9O
Formula
C17 H24 N2 O2 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

B9O in 1 structure; the first of them:

  • 6J88 · Crystal structure of HinD with benzo[b]thiophen analog · B9O A502 · binds ILE80, THR82, MET85, PHE169, PHE170, VAL231, LEU234, ALA235 and 6 more

Residues it binds most

PHE 2, THR 2, ILE 2, LEU 2, ALA 2, GLN 2, MET 2, VAL 2, ARG 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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