Ligand · BQN

BQN · 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine

BQN, 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine (C27 H22 F6 N2 O3 S, 568.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component: BQN
Formula: C27 H22 F6 N2 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

BQN in 2 structures; the first of them:

3BQN · LFA-1 I domain bound to inhibitors · BQN B1 · binds VAL130, LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, VAL233 and 15 more
3BQN · Lfa-1 I domain bound to inhibitors · BQN B1 · binds VAL130, LEU132, PHE134, PHE153, VAL157, LEU161, TYR166, VAL233 and 15 more

Residues it binds most

ILE 4, VAL 4, LEU 4, PHE 4, GLU 4, LYS 4, TYR 4, THR 2 (residue and the binding sites it lines).

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