BioLiP

PDB

BioLiP

PDB CCD ID:

JQE

Number of entries in BioLiP:

Chemical formula:

C10 H6 Cl2 O2 S

InChI:

InChI=1S/C10H6Cl2O2S/c11-5-1-2-8-6(3-5)7(4-9(13)14)10(12)15-8/h1-3H,4H2,(H,13,14)

InChIKey:

BCQFHYKPVHGTMB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)c(c(s2)Cl)CC(=O)O
CACTVS 3.385	OC(=O)Cc1c(Cl)sc2ccc(Cl)cc12

Name:

2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid

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).