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BioLiP

PDB CCD ID: LU0
Number of entries in BioLiP: 2
Chemical formula: C6 H14 N2 O4 S
InChI: InChI=1S/C6H14N2O4S/c1-4(2)3-5(6(9)10)8-13(7,11)12/h4-5,8H,3H2,1-2H3,(H,9,10)(H2,7,11,12)/t5-/m0/s1
InChIKey: WYJHWWUFTZEBIK-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.6CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N
OpenEye OEToolkits 2.0.6CC(C)CC(C(=O)O)NS(=O)(=O)N
CACTVS 3.385CC(C)C[C@H](N[S](N)(=O)=O)C(O)=O
Name:Sulphamoil Leucine
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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