BioLiP

PDB

BioLiP

PDB CCD ID:

5L0

Number of entries in BioLiP:

Chemical formula:

C21 H20 N4 O2

InChI:

InChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3

InChIKey:

LBUBPCSKFDKKFO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5
OpenEye OEToolkits 1.9.2	CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5
CACTVS 3.385	CC(=O)c1cc(c2cccc3nccn23)c4cc(ccn14)N5CCOCC5

Name:

1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone

ChEMBL:

CHEMBL3740819

ZINC:

ZINC000263620687

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).