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BioLiP

PDB CCD ID: 0JY
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKey: LPBSHGLDBQBSPI-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CC(C)(C)C
OpenEye OEToolkits 1.7.6CC(C)(C)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6CC(C)(C)CC(C(=O)O)N
CACTVS 3.370CC(C)(C)C[C@H](N)C(O)=O
CACTVS 3.370CC(C)(C)C[CH](N)C(O)=O
Name:4-methyl-L-leucine
ZINC: ZINC000000391810
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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