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BioLiP

PDB CCD ID: AQO
Number of entries in BioLiP: 3
Chemical formula: C8 H7 N3 O
InChI: InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
InChIKey: SDTFBAXSPXZDKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2ccccc2C(=O)N1
ACDLabs 10.04O=C1c2c(N=C(N1)N)cccc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)NC(=N2)N
Name:2-AMINOQUINAZOLIN-4(3H)-ONE
ChEMBL: CHEMBL6993
DrugBank: DB03780
ZINC: ZINC000013514509
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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