BioLiP

PDB

BioLiP

PDB CCD ID:

A1D71

Number of entries in BioLiP:

Chemical formula:

C7 H5 Cl O3

InChI:

InChI=1S/C7H5ClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)

InChIKey:

RJOLIYHZZKAIET-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(Cl)cc(c1)C(O)=O
OpenEye OEToolkits 2.0.7	c1c(cc(cc1O)Cl)C(=O)O

Name:

3-chloranyl-5-oxidanyl-benzoic acid;
Hydantoin-5-acetic acid

ChEMBL:

CHEMBL2146910

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).