BioLiP

PDB

BioLiP

PDB CCD ID:

ILC

Number of entries in BioLiP:

Chemical formula:

C19 H14 F N O4 S

InChI:

InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)

InChIKey:

GIUMGVUBDBDTDX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O
CACTVS 3.341	COc1cccc(c1)c2ccc(NC(=O)c3ccsc3C(O)=O)c(F)c2
ACDLabs 10.04	O=C(O)c3sccc3C(=O)Nc2ccc(c1cccc(OC)c1)cc2F

Name:

3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID

ChEMBL:

CHEMBL371732

DrugBank:

DB07976

ZINC:

ZINC000013681616

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).