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BioLiP

PDB CCD ID: MLY
Number of entries in BioLiP: 3
Chemical formula: C8 H18 N2 O2
InChI: InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKey: XXEWFEBMSGLYBY-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)CCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CN(C)CCCCC(C(=O)O)N
CACTVS 3.341CN(C)CCCC[CH](N)C(O)=O
CACTVS 3.341CN(C)CCCC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCCN(C)C
Name:N-DIMETHYL-LYSINE
DrugBank: DB03362
ZINC: ZINC000002579066
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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