SEQ2FUN

BioLiP

PDB CCD ID: NU1
Number of entries in BioLiP: 5
Chemical formula: C9 H8 N2 O2
InChI: InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChIKey: YJDAOHJWLUNFLX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=Nc2c(cccc2O)C(=O)N1
CACTVS 3.341CC1=Nc2c(O)cccc2C(=O)N1
ACDLabs 10.04O=C1c2c(N=C(N1)C)c(O)ccc2
Name:8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE;
NU1025
ChEMBL: CHEMBL123904
DrugBank: DB02690
ZINC: ZINC000018145500
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).