SEQ2FUN

BioLiP

PDB CCD ID: 7CB
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O2 S
InChI: InChI=1S/C9H8N2O2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H2,10,12,13)
InChIKey: BFIWZEKPARJYJE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2cnccc2c(c1)S(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)c1cccc2cnccc12
Name:isoquinoline-5-sulfonamide
ChEMBL: CHEMBL376726
ZINC: ZINC000028643174
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).