BioLiP

PDB

BioLiP

PDB CCD ID:

A1B9Z

Number of entries in BioLiP:

Chemical formula:

C20 H16 O4 S

InChI:

InChI=1S/C20H16O4S/c21-19(22)11-13-1-5-15(6-2-13)17-9-10-18(25-17)16-7-3-14(4-8-16)12-20(23)24/h1-10H,11-12H2,(H,21,22)(H,23,24)

InChIKey:

ZDYJCKHDQKYXFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc(ccc1CC(=O)O)c2ccc(s2)c3ccc(cc3)CC(=O)O
CACTVS 3.385	OC(=O)Cc1ccc(cc1)c2sc(cc2)c3ccc(CC(O)=O)cc3
ACDLabs 14.52	O=C(O)Cc1ccc(cc1)c1ccc(s1)c1ccc(CC(=O)O)cc1

Name:

2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic 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).