SEQ2FUN

BioLiP

PDB CCD ID: K3V
Number of entries in BioLiP: 6
Chemical formula: C10 H10 N2 O3
InChI: InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey: RMKSXDYWMIAVBW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc2c(c1OC)C(=O)NN=C2
ACDLabs 12.01N1N=Cc2c(C1=O)c(c(OC)cc2)OC
CACTVS 3.385COc1ccc2C=NNC(=O)c2c1OC
Name:7,8-dimethoxyphthalazin-1(2H)-one
ChEMBL: CHEMBL1498994
ZINC: ZINC000017877630
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).