SEQ2FUN

BioLiP

PDB CCD ID: VT3
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N2 O2
InChI: InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
InChIKey: MCCQXQRJNJXHRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2
CACTVS 3.385Cc1ccc(cc1)C2=Nc3c(O)cccc3C(=O)N2
Name:8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE
ChEMBL: CHEMBL3827272
ZINC: ZINC000045817619
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).