Ligand · XAY

XAY · 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl) amino]phenyl}propanoyl]amino}benzoic acid

XAY, 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl) amino]phenyl}propanoyl]amino}benzoic acid (C25 H21 N3 O4, 427.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component: XAY
Formula: C25 H21 N3 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

XAY in 2 structures; the first of them:

7KXI · Structure of XL5-ligated hRpn13 Pru domain · XAY A201 · binds MET31, LEU33, VAL38, THR39, PRO40, GLN87, CYS88, PRO89 and 2 more
7KXI · Structure of XL5-ligated HRPN13 pru domain · XAY A201 · binds MET31, LEU33, VAL38, PRO40, CYS88, VAL93, PHE106

Residues it binds most

VAL 2, PRO 2, CYS 2, LEU 2, MET 2, PHE 2, GLN 1, THR 1 (residue and the binding sites it lines).

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