SEQ2FUN

BioLiP

PDB CCD ID: 0N7
Number of entries in BioLiP: 4
Chemical formula: C9 H7 N O3
InChI: InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
InChIKey: ZXAICCBFIBBVAR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(=O)N(C2=O)O
CACTVS 3.370ON1C(=O)Cc2ccccc2C1=O
ACDLabs 12.01O=C2c1c(cccc1)CC(=O)N2O
Name:2-hydroxyisoquinoline-1,3(2H,4H)-dione
ChEMBL: CHEMBL16755
ZINC: ZINC000003626195
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).