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BioLiP Library

PDB CCD ID: ALY
Number of entries in BioLiP: 10
Chemical formula: C8 H16 N2 O3
InChI: InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKey: DTERQYGMUDWYAZ-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.341CC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(NCCCCC(N)C(=O)O)C
Name:N(6)-ACETYLLYSINE
ChEMBL: CHEMBL1230958
ZINC: ZINC000001529433
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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