BioLiP

PDB

BioLiP

PDB CCD ID:

JHI

Number of entries in BioLiP:

Chemical formula:

C12 H15 Cl N4

InChI:

InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3

InChIKey:

UBRPLBRZNLYVJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc2n(nc(Cl)cc2N3CCCC3)c1C
ACDLabs 12.01	Cc1c(C)nc2c(cc(Cl)nn12)N1CCCC1
OpenEye OEToolkits 2.0.7	Cc1c(n2c(n1)c(cc(n2)Cl)N3CCCC3)C

Name:

(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)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).