BioLiP

PDB

BioLiP

PDB CCD ID:

Z94

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O3

InChI:

InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1

InChIKey:

GUTQNQMNYWTMBT-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O
OpenEye OEToolkits 1.7.0	CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2
CACTVS 3.352	CC(=O)Nc1ccc(cc1)[C@@H]2NC(=O)NC2=O
OpenEye OEToolkits 1.7.0	CC(=O)Nc1ccc(cc1)C2C(=O)NC(=O)N2

Name:

N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide;
2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID

ZINC:

ZINC000039334731

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).