BioLiP

PDB

BioLiP

PDB CCD ID:

D5H

Number of entries in BioLiP:

Chemical formula:

C20 H18 F N O4

InChI:

InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)

InChIKey:

XPRDUGXOWVXZLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	COc1cccc(c1)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O
CACTVS 3.385	COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2

Name:

2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid;
Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid

ChEMBL:

CHEMBL197194

DrugBank:

DB15446

ZINC:

ZINC000014960644

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).