BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0G

Number of entries in BioLiP:

Chemical formula:

C8 H7 N S

InChI:

InChI=1S/C8H7NS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2

InChIKey:

ZUPYTANKWDPRDP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(ccs2)cc1N
CACTVS 3.385	Nc1ccc2sccc2c1

Name:

1-benzothiophen-5-amine

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).