BioLiP

PDB

BioLiP

PDB CCD ID:

UAU

Number of entries in BioLiP:

Chemical formula:

C23 H22 N6 O2

InChI:

InChI=1S/C23H22N6O2/c1-16-14-28(11-12-31-16)21-8-9-24-13-19(21)27-23(30)18-7-10-25-29-15-20(26-22(18)29)17-5-3-2-4-6-17/h2-10,13,15-16H,11-12,14H2,1H3,(H,27,30)/t16-/m0/s1

InChIKey:

MENVSADYTLLXLP-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc34)c5ccccc5
OpenEye OEToolkits 2.0.7	CC1CN(CCO1)c2ccncc2NC(=O)c3ccnn4c3nc(c4)c5ccccc5
ACDLabs 12.01	O=C(Nc1cnccc1N1CC(C)OCC1)c1ccnn2cc(nc21)c1ccccc1
CACTVS 3.385	C[C@H]1CN(CCO1)c2ccncc2NC(=O)c3ccnn4cc(nc34)c5ccccc5

Name:

(4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

ChEMBL:

CHEMBL5266553

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).