BioLiP

PDB

BioLiP

PDB CCD ID:

A1ABB

Number of entries in BioLiP:

Chemical formula:

C9 H6 O3 S

InChI:

InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)

InChIKey:

ZASUJVQPFQRFPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC(=O)c1ccc(s1)c1occc1
CACTVS 3.385	OC(=O)c1sc(cc1)c2occc2
OpenEye OEToolkits 2.0.7	c1cc(oc1)c2ccc(s2)C(=O)O

Name:

(5P)-5-(furan-2-yl)thiophene-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).