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BioLiP

PDB CCD ID: 25Y
Number of entries in BioLiP: 1
Chemical formula: C3 H5 B10 N2 O2 S
InChI: InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-4-2-5(3,4)7(2)8(2)6(2,4)9(3,4)11(3)10(3,5,7)13(7,8,11)12(6,8,9)11/h15H,1H2,(H2,14,16,17)
InChIKey: FSWDGZNQHMMSCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N
CACTVS 3.385N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19
Name:1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane
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)(download the PDF file).
  • 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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