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BioLiP

PDB CCD ID: 5L0
Number of entries in BioLiP: 2
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:
SoftwareSMILES
ACDLabs 12.01C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5
OpenEye OEToolkits 1.9.2CC(=O)c1cc(c2n1ccc(c2)N3CCOCC3)c4cccc5n4ccn5
CACTVS 3.385CC(=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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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