BioLiP

PDB

BioLiP

PDB CCD ID:

ID9

Number of entries in BioLiP:

Chemical formula:

C19 H19 N5 O

InChI:

InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3

InChIKey:

QXYBYVXOVCAYLM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4
OpenEye OEToolkits 2.0.7	Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C
ACDLabs 12.01	Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1

Name:

(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]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).