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BioLiP Library

PDB CCD ID: 7CT
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3
InChIKey: NZGWDNMCXFHPJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNS(=O)(=O)c1cccc2c1ccnc2
CACTVS 3.385CN[S](=O)(=O)c1cccc2cnccc12
Name:~{N}-methylisoquinoline-5-sulfonamide
ZINC: ZINC000035587869
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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