BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGO

Number of entries in BioLiP:

Chemical formula:

C11 H9 N O S

InChI:

InChI=1S/C11H9NOS/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13)

InChIKey:

SFIDPJRHRJFVLK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1sccc1c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccsc2C(=O)N

Name:

3-phenylthiophene-2-carboxamide

ChEMBL:

CHEMBL3792651

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).