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BioLiP Library

PDB CCD ID: 3KJ
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N4 O3
InChI: InChI=1S/C7H16N4O3/c1-11(14)7(9)10-4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H2,9,10)(H,12,13)/t5-/m0/s1
InChIKey: BNNZGZKJTQTHNK-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CN(O)C(=N)NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCNC(=[N@H])N(O)C
OpenEye OEToolkits 1.7.6CN(C(=N)NCCCC(C(=O)O)N)O
OpenEye OEToolkits 1.7.6[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)O
CACTVS 3.370CN(O)C(=N)NCCC[CH](N)C(O)=O
Name:N~5~-(N-hydroxy-N-methylcarbamimidoyl)-L-ornithine
ZINC: ZINC000013513561
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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