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BioLiP

PDB CCD ID: 2KK
Number of entries in BioLiP: 0
Chemical formula: C13 H17 F N2 O3
InChI: InChI=1S/C13H17FN2O3/c14-10-6-4-9(5-7-10)12(17)16-8-2-1-3-11(15)13(18)19/h4-7,11H,1-3,8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey: RSCKZMFXHUZXTO-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCCCNC(=O)c1ccc(F)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)NCCCCC(C(=O)O)N)F
CACTVS 3.385N[C@@H](CCCCNC(=O)c1ccc(F)cc1)C(O)=O
ACDLabs 12.01O=C(c1ccc(F)cc1)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)N)F
Name:N~6~-(4-fluorobenzoyl)-L-lysine
ZINC: ZINC000263620990
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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