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BioLiP

PDB CCD ID: O6J
Number of entries in BioLiP: 1
Chemical formula: C15 H19 N3 O2 S
InChI: InChI=1S/C15H19N3O2S/c1-3-4-5-8-21(19,20)18-12-6-7-14-13(9-12)11(2)15(10-16)17-14/h6-7,9,17-18H,3-5,8H2,1-2H3
InChIKey: YSEFPNYCRCSWGW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C
ACDLabs 12.01c1(cc2c(cc1)nc(c2C)C#N)NS(CCCCC)(=O)=O
CACTVS 3.385CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1
Name:N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide
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).
  • 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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