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BioLiP Library

PDB CCD ID: C1J
Number of entries in BioLiP: 0
Chemical formula: C14 H30 N4 O2
InChI: InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1
InChIKey: LFWWNZPTJURVEX-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCNC(=N)NCCCC(C(=O)O)N
CACTVS 3.385CCCCCCCCNC(=N)NCCC[CH](N)C(O)=O
CACTVS 3.385CCCCCCCCNC(=N)NCCC[C@H](N)C(O)=O
ACDLabs 12.01NC(C(O)=O)CCCN/C(NCCCCCCCC)=N
OpenEye OEToolkits 2.0.6[H]/N=C(/NCCCCCCCC)\NCCC[C@@H](C(=O)O)N
Name:N~5~-(N-octylcarbamimidoyl)-L-ornithine
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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