SEQ2FUN

BioLiP

PDB CCD ID: MEW
Number of entries in BioLiP: 7
Chemical formula: C9 H8 N2 O
InChI: InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
InChIKey: FIEYHAAMDAPVCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CC1=Nc2ccccc2C(=O)N1
ACDLabs 12.01O=C1c2ccccc2N=C(N1)C
Name:2-methylquinazolin-4(3H)-one
ChEMBL: CHEMBL395092
ZINC: ZINC000008793749
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).