BioLiP

PDB

BioLiP

PDB CCD ID:

KQE

Number of entries in BioLiP:

Chemical formula:

C18 H11 F3 N4 O

InChI:

InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H

InChIKey:

SFBZOJORTROAIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)c4ccncc4

Name:

6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine

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).