BioLiP

PDB

BioLiP

PDB CCD ID:

428

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O

InChI:

InChI=1S/C9H11N3O/c1-6(2)7-5-12-8(10-7)3-4-9(13)11-12/h3-6H,1-2H3,(H,11,13)

InChIKey:

QAOPIBXTQUXLFU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC(C)c1cn2nc(O)ccc2n1
OpenEye OEToolkits 1.7.0	CC(C)c1cn2c(n1)ccc(n2)O

Name:

2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol

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).