Ligand · 47W

47W · 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium

47W, 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium (C24 H27 N3 O2 +2, 389.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component: 47W
Formula: C24 H27 N3 O2 +2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

47W in 2 structures; the first of them:

4UMT · Structure of MELK in complex with inhibitors · 47W A1335 · binds ILE17, VAL25, ALA38, LYS40, GLU57, ALA60, LEU61, LEU64 and 15 more
4UMT · Structure of melk in complex with inhibitors · 47W A1335 · binds ILE17, VAL25, ALA38, LYS40, GLU57, ALA60, LEU61, LEU64 and 15 more

Residues it binds most

LEU 2, ALA 2, ILE 2, CYS 2, GLU 2, TYR 2, ASP 2, HIS 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

DMS · Dimethyl sulfoxide

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