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BioLiP

PDB CCD ID: Q3N
Number of entries in BioLiP: 2
Chemical formula: C7 H12 B10 N O2 S
InChI: InChI=1S/C7H12B10NO2S/c18-21(19,20)5-3-1-2-4-7-6-8(7)10(6)11(6)9(6,7)13(7)12(7,8)14(8,10)16(10,11)15(9,11,13)17(12,13,14)16/h1-5H2,(H2,18,19,20)
InChIKey: UPSPEVYNSROCDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)CCCCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16
Name:Carborane closo-pentyl-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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