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BioLiP

PDB CCD ID: SKJ
Number of entries in BioLiP: 2
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKey: KWSUGULOZFMUDH-RITPCOANSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC[CH](C)[CH](N)C(O)=O
CACTVS 3.385CCC[C@@H](C)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCC(C)C(C(=O)O)N
OpenEye OEToolkits 2.0.7CCC[C@@H](C)[C@@H](C(=O)O)N
Name:beta-methylnorleucine;
(2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid
ZINC: ZINC000013355117
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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