BioLiP

PDB

BioLiP

PDB CCD ID:

CHB

Number of entries in BioLiP:

Chemical formula:

C7 H5 Cl O3

InChI:

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

InChIKey:

QGNLHMKIGMZKJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1C(=O)O)Cl)O
ACDLabs 10.04	Clc1cc(C(=O)O)ccc1O
CACTVS 3.341	OC(=O)c1ccc(O)c(Cl)c1

Name:

3-CHLORO-4-HYDROXYBENZOIC ACID

ZINC:

ZINC000000404324

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).