BioLiP

PDB

BioLiP

PDB CCD ID:

9MB

Number of entries in BioLiP:

Chemical formula:

C17 H11 F2 N O3

InChI:

InChI=1S/C17H11F2NO3/c18-12-8-7-10(9-15(12)22)23-16-6-2-4-13(20-16)11-3-1-5-14(21)17(11)19/h1-9,21-22H

InChIKey:

URNXTVXZHNOBRL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F
CACTVS 3.385	Oc1cc(Oc2cccc(n2)c3cccc(O)c3F)ccc1F

Name:

2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol

ChEMBL:

CHEMBL4171183

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).