BioLiP

PDB

BioLiP

PDB CCD ID:

3QT

Number of entries in BioLiP:

Chemical formula:

C20 H16 N6

InChI:

InChI=1S/C20H16N6/c1-25-13-16(11-23-25)19-6-7-20-22-12-17(26(20)24-19)10-14-4-5-18-15(9-14)3-2-8-21-18/h2-9,11-13H,10H2,1H3

InChIKey:

RNCNPRCUHHDYPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5
CACTVS 3.370	Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2
ACDLabs 12.01	n1cc(n2nc(ccc12)c3cn(nc3)C)Cc5cc4cccnc4cc5

Name:

6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline

ChEMBL:

CHEMBL1738731

ZINC:

ZINC000066166253

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).