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BioLiP

PDB CCD ID: XU1
Number of entries in BioLiP: 1
Chemical formula: C12 H8 N2 O
InChI: InChI=1S/C12H8N2O/c15-12-10-5-2-1-4-8(10)9-6-3-7-13-11(9)14-12/h1-7H,(H,13,14,15)
InChIKey: YLSBDRGLLZDAKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2c3c(c1c(nccc1)N2)cccc3
OpenEye OEToolkits 1.7.6c1ccc2c(c1)-c3cccnc3NC2=O
CACTVS 3.370O=C1Nc2ncccc2c3ccccc13
Name:benzo[c][1,8]naphthyridin-6(5H)-one
ChEMBL: CHEMBL110381
ZINC: ZINC000013523954
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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