BioLiP

PDB

BioLiP

PDB CCD ID:

Y1L

Number of entries in BioLiP:

Chemical formula:

C9 H7 Cl O S

InChI:

InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2

InChIKey:

PUSCUZZEDIEHOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)c(cs2)CO
CACTVS 3.385	OCc1csc2ccc(Cl)cc12
ACDLabs 12.01	Clc1cc2c(cc1)scc2CO

Name:

(5-chloro-1-benzothiophen-3-yl)methanol

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).