Ligand · W37

W37 · N-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-N-methylprop-2-en-1-amine

W37, N-(6-{[1-(4-bromophenyl)isoquinolin-6-yl]oxy}hexyl)-N-methylprop-2-en-1-amine (C25 H29 Br N2 O, 453.4 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…

Component: W37
Formula: C25 H29 Br N2 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

W37 in 2 structures; the first of them:

1O6H · Squalene-Hopene Cyclase · W37 A800 · binds PHE129, TRP169, ALA170, THR173, ILE261, PRO263, SER307, TRP312 and 14 more
1O6H · Squalene-hopene cyclase · W37 A800 · binds PHE129, TRP169, ALA170, THR173, ILE261, PRO263, SER307, TRP312 and 14 more

Residues it binds most

PHE 6, ASP 6, TRP 6, TYR 6, ALA 6, GLU 6, ILE 6, LEU 6, PRO 6, SER 6 (residue and the binding sites it lines).

Found with

C8E · (hydroxyethyloxy)tri(ethyloxy)octane

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