SEQ2FUN

BioLiP

PDB CCD ID: YEZ
Number of entries in BioLiP: 1
Chemical formula: C10 H6 N2 O2
InChI: InChI=1S/C10H6N2O2/c13-10-9-7(5-11-12-10)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)
InChIKey: JPYPDSHHTRFKAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c(o2)C(=O)NN=C3
CACTVS 3.385O=C1NN=Cc2c1oc3ccccc23
ACDLabs 12.01O=C1NN=Cc2c3ccccc3oc21
Name:[1]benzofuro[2,3-d]pyridazin-4(3H)-one
ZINC: ZINC000032099174
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).