BioLiP

PDB

BioLiP

PDB CCD ID:

LNX

Number of entries in BioLiP:

Chemical formula:

C14 H12 O4 S

InChI:

InChI=1S/C14H12O4S/c15-13(16)7-9-4-10(8-14(17)18)6-11(5-9)12-2-1-3-19-12/h1-6H,7-8H2,(H,15,16)(H,17,18)

InChIKey:

KZPRFEGRESQBAV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O
CACTVS 3.385	OC(=O)Cc1cc(CC(O)=O)cc(c1)c2sccc2
ACDLabs 12.01	C(C(O)=O)c1cc(cc(c1)c2cccs2)CC(=O)O

Name:

2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid

ChEMBL:

CHEMBL3809104

ZINC:

ZINC000584905618

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).