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BioLiP

PDB CCD ID: YJX
Number of entries in BioLiP: 2
Chemical formula: C18 H14 N4 O
InChI: InChI=1S/C18H14N4O/c23-18-12-5-2-1-4-11(12)16-13(6-3-9-22(16)18)17-20-14-7-8-19-10-15(14)21-17/h1-2,4-5,7-8,10H,3,6,9H2,(H,20,21)
InChIKey: OBSCRMJWHBYWSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2c1ccccc1C=5N2CCCC=5c4nc3ccncc3n4
OpenEye OEToolkits 1.7.2c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4
CACTVS 3.370O=C1N2CCCC(=C2c3ccccc13)c4[nH]c5cnccc5n4
Name:1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one
ChEMBL: CHEMBL1917724
ZINC: ZINC000073196872
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).
  • 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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