BioLiP

PDB

BioLiP

PDB CCD ID:

CW6

Number of entries in BioLiP:

Chemical formula:

C15 H15 F O2

InChI:

InChI=1S/C15H15FO2/c1-15(2,10-3-6-12(17)7-4-10)11-5-8-14(18)13(16)9-11/h3-9,17-18H,1-2H3

InChIKey:

XMEGCBLYVCFWLJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O
CACTVS 3.385	CC(C)(c1ccc(O)cc1)c2ccc(O)c(F)c2

Name:

2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

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).