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BioLiP

PDB CCD ID: 2YH
Number of entries in BioLiP: 4
Chemical formula: C10 H22 N4 O3
InChI: InChI=1S/C10H22N4O3/c11-5-1-3-7(12)9(15)14-6-2-4-8(13)10(16)17/h7-8H,1-6,11-13H2,(H,14,15)(H,16,17)/t7-,8+/m1/s1
InChIKey: MCMLHDBHZRLOED-SFYZADRCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCCNC(=O)C(N)CCCN
CACTVS 3.385NCCC[C@@H](N)C(=O)NCCC[C@H](N)C(O)=O
CACTVS 3.385NCCC[CH](N)C(=O)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN
OpenEye OEToolkits 1.7.6C(CC(C(=O)NCCCC(C(=O)O)N)N)CN
Name:N~5~-D-ornithyl-L-ornithine
ZINC: ZINC000098208352
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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