Ligand · 4BI

4BI · (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid

4BI, (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid (C22 H22 Cl N O3, 383.9 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, the…

Component: 4BI
Formula: C22 H22 Cl N O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

4BI in 2 structures; the first of them:

4NYF · HIV integrase in complex with inhibitor · 4BI A301 · binds GLN168, ALA169, GLU170, HIS171, THR174, GLN95, ALA98, TYR99 and 6 more
4NYF · HIV integrase in complex with inhibitor · 4BI A301 · binds GLN168, ALA169, GLU170, HIS171, THR174, GLN95, ALA98, TYR99 and 6 more

Residues it binds most

ALA 2, GLN 2, THR 2, GLU 2, HIS 2, LEU 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

CD · Cadmium ion

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