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BioLiP

PDB CCD ID: MLL
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
InChIKey: QVDXUKJJGUSGLS-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)OC)N
CACTVS 3.341COC(=O)[C@@H](N)CC(C)C
ACDLabs 10.04O=C(OC)C(N)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)OC)N
CACTVS 3.341COC(=O)[CH](N)CC(C)C
Name:METHYL L-LEUCINATE
ChEMBL: CHEMBL1229070
ZINC: ZINC000054954737
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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