Ligand · XFA

XFA · 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-N-(1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide

XFA, 2-{[5-chloro-2-(4-chlorophenoxy)phenyl](2-{[2-(methylamino)ethyl]amino}-2-oxoethyl)amino}-N-(1,3-dihydro-2H-isoindol-2-yl)-N-methylacetamide (C28 H31 Cl2 N5 O3, 556.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: XFA
Formula: C28 H31 Cl2 N5 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

XFA in 2 structures; the first of them:

4YVF · Structure of S-adenosyl-L-homocysteine hydrolase · XFA A502 · binds HIS55, THR57, GLU59, THR60, SER83, GLN85, ASP190, LEU344 and 7 more
4YVF · Structure of S-adenosyl-L-homocysteine hydrolase · XFA A502 · binds HIS55, THR57, GLU59, THR60, SER83, GLN85, ASP190, LEU344 and 7 more

Residues it binds most

HIS 4, LEU 4, MET 4, THR 4, ALA 4, ASN 4, ASP 4, GLN 4, GLU 4, GLY 4 (residue and the binding sites it lines).

Found with

NAI · 1,4-dihydronicotinamide adenine dinucleotide

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