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BioLiP

PDB CCD ID: 2O1
Number of entries in BioLiP: 1
Chemical formula: C12 H10 N2 O
InChI: InChI=1S/C12H10N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h1-4,7,13H,5-6H2
InChIKey: PTMYWDHBZAMKMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c3c(cn2)C(=O)CCN3
CACTVS 3.385O=C1CCNc2c1cnc3ccccc23
ACDLabs 12.01O=C3c2cnc1ccccc1c2NCC3
Name:2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one
ZINC: ZINC000000519712
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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