BioLiP

PDB

BioLiP

PDB CCD ID:

KZ2

Number of entries in BioLiP:

Chemical formula:

C9 H6 O2 S

InChI:

InChI=1S/C9H6O2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11)

InChIKey:

LJPSRTWIAXVPIS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2ccsc2c(c1)C(=O)O
CACTVS 3.385	OC(=O)c1cccc2ccsc12

Name:

1-benzothiophene-7-carboxylic acid

ZINC:

ZINC000012370194

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).