SEQ2FUN

BioLiP

PDB CCD ID: 26E
Number of entries in BioLiP: 1
Chemical formula: C3 H5 B9 N2 O2 S
InChI: InChI=1S/C3H5B9N2O2S/c13-17(15,16)14-1-3-2-4-6-5(3)9(3)7(2,3)8(2,4)10(4,6)11(5,6,9)12(7,8,9)10/h14H,1H2,(H2,13,15,16)
InChIKey: VRKHBQSBPLXCRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)NC[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 1.7.6B123B45B167B289B31B823B966B744B622C45C321CNS(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)NC[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
Name:7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane
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).