BioLiP

PDB

BioLiP

PDB CCD ID:

0VG

Number of entries in BioLiP:

Chemical formula:

C22 H22 N6

InChI:

InChI=1S/C22H22N6/c1-16-7-6-13-27(16)21-11-5-10-20(25-21)24-19-15-18(17-8-3-2-4-9-17)26-28-14-12-23-22(19)28/h2-5,8-12,14-16H,6-7,13H2,1H3,(H,24,25)/t16-/m0/s1

InChIKey:

OLNOLIZABHZSEW-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5
CACTVS 3.370	C[C@H]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2
OpenEye OEToolkits 1.7.6	CC1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5
CACTVS 3.370	C[CH]1CCCN1c2cccc(Nc3cc(nn4ccnc34)c5ccccc5)n2
ACDLabs 12.01	n1ccn2nc(cc(c12)Nc4nc(N3C(C)CCC3)ccc4)c5ccccc5

Name:

N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine

ChEMBL:

CHEMBL3920431

ZINC:

ZINC000095571748

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).