SEQ2FUN

BioLiP

PDB CCD ID: Q4B
Number of entries in BioLiP: 2
Chemical formula: C7 H12 B9 N O2 S
InChI: InChI=1S/C7H12B9NO2S/c17-20(18,19)5-3-1-2-4-7-6-8-10-9(7)13(7)11(6,7)12(6,8)14(8,10)15(9,10,13)16(11,12,13)14/h1-5H2,(H2,17,18,19)
InChIKey: GTLHEFZDKOVWKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)CCCCC[C+]123[B-]45[B-]67[B+]89[C@@]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
CACTVS 3.385N[S](=O)(=O)CCCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
OpenEye OEToolkits 2.0.7B123B45B167B289B31B823B966B744B622C45C321CCCCCS(=O)(=O)N
OpenEye OEToolkits 2.0.7B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N
Name:Carborane nido-pentyl-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).