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BioLiP

PDB CCD ID: NO5
Number of entries in BioLiP: 2
Chemical formula: C5 H12 N2 O4 S
InChI: InChI=1S/C5H12N2O4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)(H2,6,10,11)/t4-/m0/s1
InChIKey: IIRKLFOBJZBWGF-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)C(C(=O)O)NS(=O)(=O)N
CACTVS 3.385CC(C)[C@H](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C)[C@@H](C(=O)O)NS(=O)(=O)N
Name:(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
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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