BioLiP

PDB

BioLiP

PDB CCD ID:

ZR6

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O3

InChI:

InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)

InChIKey:

LBXZUEMSUVQWIJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(cccc1C(O)=O)N2CCNC2=O
ACDLabs 12.01	O=C(O)c1cccc(c1C)N1CCNC1=O
OpenEye OEToolkits 2.0.7	Cc1c(cccc1N2CCNC2=O)C(=O)O

Name:

2-methyl-3-(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).