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BioLiP

PDB CCD ID: LNT
Number of entries in BioLiP: 0
Chemical formula: C10 H22 N2 O5
InChI: InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1
InChIKey: JUVAHRIWFDXYGV-CSMHCCOUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C[C@H](N)C(O)(O)N[C@@H]([C@@H](C)O)C(O)=O
OpenEye OEToolkits 1.7.0C[C@H]([C@@H](C(=O)O)NC([C@H](CC(C)C)N)(O)O)O
ACDLabs 12.01O=C(O)C(NC(O)(O)C(N)CC(C)C)C(O)C
CACTVS 3.370CC(C)C[CH](N)C(O)(O)N[CH]([CH](C)O)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)CC(C(NC(C(C)O)C(=O)O)(O)O)N
Name:N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
ZINC: ZINC000058649584
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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