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BioLiP

PDB CCD ID: 2ML
Number of entries in BioLiP: 3
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKey: ARSWQPLPYROOBG-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)C[C](C)(N)C(O)=O
CACTVS 3.341CC(C)C[C@](C)(N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)C[C@@](C)(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)(C)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)CC(C)(C(=O)O)N
Name:2-METHYLLEUCINE
DrugBank: DB04063
ZINC: ZINC000000403039
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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