SEQ2FUN

BioLiP

PDB CCD ID: Q3K
Number of entries in BioLiP: 2
Chemical formula: C8 H14 B10 N O2 S
InChI: InChI=1S/C8H14B10NO2S/c19-22(20,21)6-4-2-1-3-5-8-7-9(8)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,20,21)
InChIKey: BDVAUBUIUJMBTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)CCCCCC[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
OpenEye OEToolkits 2.0.7B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N
Name:Carborane closo-hexyl-sulfonamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).