BioLiP

PDB

BioLiP

PDB CCD ID:

VR7

Number of entries in BioLiP:

Chemical formula:

C11 H8 O3 S

InChI:

InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)

InChIKey:

ZGSXCSMJOZJLKM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc(ccc1O)c2cscc2
OpenEye OEToolkits 2.0.7	c1cc(c(cc1c2ccsc2)C(=O)O)O
ACDLabs 12.01	c1c(ccc(c1C(O)=O)O)c2ccsc2

Name:

2-hydroxy-5-(thiophen-3-yl)benzoic acid

ChEMBL:

CHEMBL4245097

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).