Ligand · BQM

BQM · 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline

BQM, 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline (C21 H18 F6 N2 O2 S, 476.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: BQM
Formula: C21 H18 F6 N2 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

BQM in 2 structures; the first of them:

3BQM · LFA-1 I domain bound to inhibitors · BQM B1 · binds VAL130, LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, THR231 and 14 more
3BQM · Lfa-1 I domain bound to inhibitors · BQM B1 · binds VAL130, LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, THR231 and 14 more

Residues it binds most

ILE 4, VAL 4, LEU 4, PHE 4, TYR 4, GLU 4, LYS 4, THR 4 (residue and the binding sites it lines).

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