BioLiP

PDB

BioLiP

PDB CCD ID:

A1EHF

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O S

InChI:

InChI=1S/C6H7NOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H2,7,8)

InChIKey:

KESQGXHWTOVOQT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(sc1)C(=O)N
CACTVS 3.385	Cc1csc(c1)C(N)=O

Name:

4-methylthiophene-2-carboxamide

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).