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BioLiP

PDB CCD ID: 2JN
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
InChIKey: LKZQHZQXROBVOO-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCC(C)(C(=O)O)N
CACTVS 3.385CCCC[C@@](C)(N)C(O)=O
OpenEye OEToolkits 1.7.6CCCC[C@](C)(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)(CCCC)C
CACTVS 3.385CCCC[C](C)(N)C(O)=O
Name:2-methyl-D-norleucine
ZINC: ZINC000001664675
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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