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BioLiP

PDB CCD ID: 9TX
Number of entries in BioLiP: 1
Chemical formula: C16 H20 N2 O4
InChI: InChI=1S/C16H20N2O4/c1-2-12-6-5-7-13(10-12)11-22-16(21)18-9-4-3-8-14(17)15(19)20/h1,5-7,10,14H,3-4,8-9,11,17H2,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKey: BSKNEGUYHOBMNA-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(cc(C#C)ccc1)COC(NCCCCC(C(=O)O)N)=O
OpenEye OEToolkits 2.0.6C#Cc1cccc(c1)COC(=O)NCCCCC(C(=O)O)N
CACTVS 3.385N[CH](CCCCNC(=O)OCc1cccc(c1)C#C)C(O)=O
CACTVS 3.385N[C@@H](CCCCNC(=O)OCc1cccc(c1)C#C)C(O)=O
OpenEye OEToolkits 2.0.6C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N
Name:N6-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine
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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