BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFP

Number of entries in BioLiP:

Chemical formula:

C6 H6 O3 S

InChI:

InChI=1S/C6H6O3S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H,7,8)

InChIKey:

LSSMRBBQCHSDNS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccsc1C(=O)O
CACTVS 3.385	COc1ccsc1C(O)=O

Name:

3-methoxythiophene-2-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).