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BioLiP

PDB CCD ID: 5KJ
Number of entries in BioLiP: 2
Chemical formula: C7 H16 N4 O3
InChI: InChI=1S/C7H16N4O3/c1-11(7(9)10-14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H2,9,10)(H,12,13)/t5-/m0/s1
InChIKey: AUQNEMXAWPGGNP-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCCN(C(=[N@H])NO)C
CACTVS 3.370CN(CCC[C@H](N)C(O)=O)C(=N)NO
OpenEye OEToolkits 1.7.6CN(CCCC(C(=O)O)N)C(=N)NO
CACTVS 3.370CN(CCC[CH](N)C(O)=O)C(=N)NO
OpenEye OEToolkits 1.7.6[H]/N=C(\NO)/N(C)CCC[C@@H](C(=O)O)N
Name:N~5~-(N-hydroxycarbamimidoyl)-N~5~-methyl-L-ornithine
ZINC: ZINC000095920514
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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