SEQ2FUN

BioLiP

PDB CCD ID: WGG
Number of entries in BioLiP: 2
Chemical formula: C17 H15 N3 O3
InChI: InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKey: AARSEFXVCWMMKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370COc1cccc(CNC(=O)C2=Nc3ccccc3C(=O)N2)c1
OpenEye OEToolkits 1.7.6COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2
ACDLabs 12.01O=C(C2=Nc1c(cccc1)C(=O)N2)NCc3cccc(OC)c3
Name:N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
ChEMBL: CHEMBL3337869
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).