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BioLiP

PDB CCD ID: A1BC0
Number of entries in BioLiP: 0
Chemical formula: C5 H12 N2 O S
InChI: InChI=1S/C5H12N2OS/c1-7(2)5(8)4(6)3-9/h4,9H,3,6H2,1-2H3/t4-/m0/s1
InChIKey: QOOXVHYRBXEIIT-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CN(C)C(=O)[C@H](CS)N
OpenEye OEToolkits 3.1.0.0CN(C)C(=O)C(CS)N
CACTVS 3.385CN(C)C(=O)[CH](N)CS
CACTVS 3.385CN(C)C(=O)[C@@H](N)CS
ACDLabs 14.52CN(C)C(=O)C(N)CS
Name:N,N-dimethyl-L-cysteinamide
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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