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BioLiP Library

PDB CCD ID: MAJ
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O2 S
InChI: InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)
InChIKey: XVQJTFMKKZBBSX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1S(=O)(=O)N)CCC2
ACDLabs 10.04O=S(=O)(c1ccc2c(c1)CCC2)N
CACTVS 3.341N[S](=O)(=O)c1ccc2CCCc2c1
Name:indane-5-sulfonamide
ChEMBL: CHEMBL364869
DrugBank: DB08165
ZINC: ZINC000000394620
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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