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BioLiP

PDB CCD ID: MLU
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKey: XJODGRWDFZVTKW-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)CC(C(=O)O)NC
CACTVS 3.370CN[C@H](CC(C)C)C(O)=O
CACTVS 3.370CN[CH](CC(C)C)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)C[C@H](C(=O)O)NC
ACDLabs 12.01O=C(O)C(NC)CC(C)C
Name:N-methyl-D-leucine
DrugBank: DB04487
ZINC: ZINC000000403026
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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