SEQ2FUN

BioLiP

PDB CCD ID: 7JV
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O3
InChI: InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20)
InChIKey: CBWCDEQPQXXGLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COCc1ccccc1c2cc3c(c(c2)O)NC=NC3=O
CACTVS 3.385COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2
Name:6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one;
8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one
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).