Ligand · IYX

IYX · 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine

IYX, 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine (C17 H18 N2 O2 S, 314.4 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, the residues it…

Component: IYX
Formula: C17 H18 N2 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

IYX in 2 structures; the first of them:

3LC3 · Benzothiophene Inhibitors of Factor IXa · IYX A1 · binds HIS57, TYR99, ASP189, SER190, CYS191, GLN192, SER195, SER214 and 7 more
3LC3 · Benzothiophene inhibitors of factor ixa · IYX A1 · binds HIS57, TYR99, ASP189, SER190, CYS191, GLN192, SER195, SER214 and 7 more

Residues it binds most

GLU 8, CYS 8, GLY 8, SER 4, TYR 8, HIS 8, TRP 8, ASN 4, ASP 4, GLN 4 (residue and the binding sites it lines).

Found with

CA · Calcium ion

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