BioLiP

PDB

BioLiP

PDB CCD ID:

GXK

Number of entries in BioLiP:

Chemical formula:

C17 H15 Cl N6

InChI:

InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)

InChIKey:

FLFMYUGDCXTOQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2
CACTVS 3.385	Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4

Name:

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

ChEMBL:

CHEMBL4525939

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).