SEQ2FUN

BioLiP

PDB CCD ID: 495
Number of entries in BioLiP: 3
Chemical formula: C8 H5 Cl N2 O
InChI: InChI=1S/C8H5ClN2O/c9-7-5-3-1-2-4-6(5)8(12)11-10-7/h1-4H,(H,11,12)
InChIKey: QCKGMJDOJRNSMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)NN=C2Cl
CACTVS 3.370ClC1=NNC(=O)c2ccccc12
ACDLabs 12.01O=C2c1c(cccc1)C(Cl)=NN2
Name:4-chlorophthalazin-1(2H)-one
ChEMBL: CHEMBL2381525
ZINC: ZINC000016525471
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).