BioLiP

PDB

BioLiP

PDB CCD ID:

FLR

Number of entries in BioLiP:

Chemical formula:

C15 H13 F O2

InChI:

InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1

InChIKey:

SYTBZMRGLBWNTM-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[C@@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2
CACTVS 3.370	C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
OpenEye OEToolkits 1.7.0	CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
OpenEye OEToolkits 1.7.0	C[C@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O

Name:

(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid;
Flurbirprofen, R-form

ChEMBL:

CHEMBL190083

DrugBank:

DB05289

ZINC:

ZINC000000008667

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).