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BioLiP

PDB CCD ID: G9M
Number of entries in BioLiP: 2
Chemical formula: C23 H27 N5 O2
InChI: InChI=1S/C23H27N5O2/c29-21(15-27-13-9-16(10-14-27)28-11-3-4-12-28)25-20-8-7-19-22(26-20)17-5-1-2-6-18(17)23(30)24-19/h1-2,5-8,16H,3-4,9-15H2,(H,24,30)(H,25,26,29)
InChIKey: XEKQXWYAIADGIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352O=C(CN1CCC(CC1)N2CCCC2)Nc3ccc4NC(=O)c5ccccc5c4n3
OpenEye OEToolkits 1.7.0c1ccc2c(c1)-c3c(ccc(n3)NC(=O)CN4CCC(CC4)N5CCCC5)NC2=O
Name:N-(6-oxo-5,6-dihydrobenzo[c][1,5]naphthyridin-2-yl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
ChEMBL: CHEMBL1194010
ZINC: ZINC000003815860
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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