BioLiP

PDB

BioLiP

PDB CCD ID:

A1A0X

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O2 S

InChI:

InChI=1S/C6H7NO2S/c1-3-5(7)4(2-10-3)6(8)9/h2H,7H2,1H3,(H,8,9)

InChIKey:

UEGHDHJPAIWDJC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(cs1)C(=O)O)N
ACDLabs 12.01 CACTVS 3.385	Cc1scc(C(O)=O)c1N

Name:

4-amino-5-methylthiophene-3-carboxylic 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).