BioLiP

PDB

BioLiP

PDB CCD ID:

GUK

Number of entries in BioLiP:

Chemical formula:

C16 H15 Cl N6

InChI:

InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)

InChIKey:

TZFOHQPMYQZELA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl
CACTVS 3.385	CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3

Name:

6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

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).