BioLiP

PDB

BioLiP

PDB CCD ID:

KCI

Number of entries in BioLiP:

Chemical formula:

C23 H24 N6

InChI:

InChI=1S/C23H24N6/c1-17(18-7-8-22(25-14-18)28-9-4-5-10-28)27-20-12-19(13-24-15-20)21-16-26-23-6-2-3-11-29(21)23/h2-3,6-8,11-17,27H,4-5,9-10H2,1H3/t17-/m1/s1

InChIKey:

XVRRLWMWIRHFPC-QGZVFWFLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5
CACTVS 3.385	C[CH](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5
CACTVS 3.385	C[C@@H](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5
OpenEye OEToolkits 2.0.7	CC(c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5

Name:

5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-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).