BioLiP

PDB

BioLiP

PDB CCD ID:

FL2

Number of entries in BioLiP:

Chemical formula:

C16 H15 F O2

InChI:

InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1

InChIKey:

CPJBKHZROFMSQM-NSHDSACASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc2cc(ccc2c1ccccc1)C(C(=O)OC)C
OpenEye OEToolkits 1.5.0	CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC
CACTVS 3.341	COC(=O)[CH](C)c1ccc(c(F)c1)c2ccccc2
CACTVS 3.341	COC(=O)[C@@H](C)c1ccc(c(F)c1)c2ccccc2
OpenEye OEToolkits 1.5.0	C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC

Name:

FLURBIPROFEN METHYL ESTER

DrugBank:

DB03753

ZINC:

ZINC000003581273

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).