BioLiP

PDB

BioLiP

PDB CCD ID:

PFN

Number of entries in BioLiP:

Chemical formula:

C15 H14 O3

InChI:

InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1

InChIKey:

RDJGLLICXDHJDY-LLVKDONJSA-N

SMILES:

Software	SMILES
CACTVS 3.352	C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1
OpenEye OEToolkits 1.6.1	C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O
OpenEye OEToolkits 1.6.1	CC(c1cccc(c1)Oc2ccccc2)C(=O)O
CACTVS 3.352	C[C@@H](C(O)=O)c1cccc(Oc2ccccc2)c1
ACDLabs 10.04	O=C(O)C(c2cc(Oc1ccccc1)ccc2)C

Name:

FENOPROFEN;
(2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID

ChEMBL:

CHEMBL249244

ZINC:

ZINC000000402909

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).