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BioLiP

PDB CCD ID: 2YJ
Number of entries in BioLiP: 2
Chemical formula: C11 H24 N4 O3
InChI: InChI=1S/C11H24N4O3/c12-6-2-1-4-8(13)10(16)15-7-3-5-9(14)11(17)18/h8-9H,1-7,12-14H2,(H,15,16)(H,17,18)/t8-,9+/m1/s1
InChIKey: IIZZYHGWMHUAMZ-BDAKNGLRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N
CACTVS 3.385NCCCC[CH](N)C(=O)NCCC[CH](N)C(O)=O
CACTVS 3.385NCCCC[C@@H](N)C(=O)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6C(CCN)CC(C(=O)NCCCC(C(=O)O)N)N
ACDLabs 12.01O=C(O)C(N)CCCNC(=O)C(N)CCCCN
Name:N~5~-D-lysyl-L-ornithine
ZINC: ZINC000098208353

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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