BioLiP

PDB

BioLiP

PDB CCD ID:

9JQ

Number of entries in BioLiP:

Chemical formula:

C18 H14 F2 N2 O2

InChI:

InChI=1S/C18H14F2N2O2/c1-22(11-8-9-13(19)16(24)10-11)17-7-3-5-14(21-17)12-4-2-6-15(23)18(12)20/h2-10,23-24H,1H3

InChIKey:

TZILIAOKSRIZHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O
CACTVS 3.385	CN(c1ccc(F)c(O)c1)c2cccc(n2)c3cccc(O)c3F

Name:

2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol

ChEMBL:

CHEMBL4169325

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).