SEQ2FUN

BioLiP

PDB CCD ID: MAQ
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N3 O
InChI: InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKey: NLLZAHIPYDRNRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc2c1NC(=NC2=O)N
CACTVS 3.341Cc1cccc2C(=O)N=C(N)Nc12
ACDLabs 10.04O=C2N=C(Nc1c2cccc1C)N
Name:2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE
DrugBank: DB01825
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).