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BioLiP

PDB CCD ID: ILY
Number of entries in BioLiP: 0
Chemical formula: C9 H20 N2 O2
InChI: InChI=1S/C9H20N2O2/c1-7(2)11-6-4-3-5-8(10)9(12)13/h7-8,11H,3-6,10H2,1-2H3,(H,12,13)/t8-/m0/s1
InChIKey: CBAWNLIZBXJSFS-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCCNC(C)C
OpenEye OEToolkits 1.7.6CC(C)NCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6CC(C)NCCCCC(C(=O)O)N
CACTVS 3.370CC(C)NCCCC[CH](N)C(O)=O
Name:N~6~-propan-2-yl-L-lysine
ZINC: ZINC000002392298
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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