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BioLiP

PDB CCD ID: IOR
Number of entries in BioLiP: 1
Chemical formula: C9 H16 N4 O3
InChI: InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1
InChIKey: KGQMQNPFMOBJCY-RITPCOANSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(=O)N=C(N1)NCCCC(C(=O)O)N
CACTVS 3.385C[C@H]1NC(=NC1=O)NCCC[C@H](N)C(O)=O
CACTVS 3.385C[CH]1NC(=NC1=O)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C[C@@H]1C(=O)N=C(N1)NCCC[C@@H](C(=O)O)N
ACDLabs 12.01O=C1N=C(NCCCC(C(=O)O)N)NC1C
Name:N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine
ZINC: ZINC000014592707
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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