BioLiP

PDB

BioLiP

PDB CCD ID:

FGZ

Number of entries in BioLiP:

Chemical formula:

C7 H4 Cl2 O3

InChI:

InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

InChIKey:

AULKDLUOQCUNOK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(c1cc(Cl)c(O)c(Cl)c1)O
OpenEye OEToolkits 2.0.4	c1c(cc(c(c1Cl)O)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1cc(Cl)c(O)c(Cl)c1

Name:

3,5-dichloro-4-hydroxybenzoic acid

ZINC:

ZINC000000156492

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).