BioLiP

PDB

BioLiP

PDB CCD ID:

ZR3

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 O3

InChI:

InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)

InChIKey:

RYLWJXSPVCHJTQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)c1cc(ccc1Cl)N1CCNC1=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1N2CCNC2=O)C(=O)O)Cl
CACTVS 3.385	OC(=O)c1cc(ccc1Cl)N2CCNC2=O

Name:

2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid

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).