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BioLiP

PDB CCD ID: 9UC
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N3 O6
InChI: InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKey: XMTCOKGMBIHVBJ-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1COC(=O)NCCCCC(C(=O)O)N)[N+](=O)[O-]
CACTVS 3.385N[CH](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 2.0.6c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-]
ACDLabs 12.01c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O
CACTVS 3.385N[C@@H](CCCCNC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(O)=O
Name:N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine
ZINC: ZINC000002560755
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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