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BioLiP Library

PDB CCD ID: 6P6
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N3 O
InChI: InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)
InChIKey: PJPNKKKIJHLRQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3
CACTVS 3.385CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
Name:1-(4-phenylazanylquinazolin-7-yl)ethanone
ZINC: ZINC000584904806
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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