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BioLiP

PDB CCD ID: LAY
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O3
InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey: WXNXCEHXYPACJF-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NC(C(=O)O)CC(C)C)C
CACTVS 3.385CC(C)C[C@H](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)C[C@@H](C(=O)O)NC(=O)C
CACTVS 3.385CC(C)C[CH](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)CC(C(=O)O)NC(=O)C
Name:N-acetyl-L-leucine
ChEMBL: CHEMBL56021
DrugBank: DB16956
ZINC: ZINC000000135384
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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