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BioLiP Library

PDB CCD ID: A1H4I
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N2 O2 S
InChI: InChI=1S/C9H10N2O2S/c1-14(12,13)11-8-4-2-3-7-5-6-10-9(7)8/h2-6,10-11H,1H3
InChIKey: MEWQFKSUHJZGCA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CS(=O)(=O)Nc1cccc2c1[nH]cc2
CACTVS 3.385C[S](=O)(=O)Nc1cccc2cc[nH]c12
Name:N-(1H-indol-7-yl)methanesulfonamide
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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