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BioLiP

PDB CCD ID: OA3
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N3 O
InChI: InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKey: DYPFWRCGECJCBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC1(Cc2c(c(ncn2)N)C(=O)C1)C
ACDLabs 10.04O=C2c1c(ncnc1N)CC(C2)(C)C
CACTVS 3.352CC1(C)CC(=O)c2c(N)ncnc2C1
Name:4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
DrugBank: DB08316
ZINC: ZINC000003999417
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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