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BioLiP Library

PDB CCD ID: C4G
Number of entries in BioLiP: 0
Chemical formula: C9 H21 N5 O2
InChI: InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1
InChIKey: SXJFFTCQBXWXAY-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(C(O)=O)CCCN\C(=N)NCCCN
OpenEye OEToolkits 2.0.6[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NCCCN
CACTVS 3.385NCCCNC(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6C(CC(C(=O)O)N)CNC(=N)NCCCN
CACTVS 3.385NCCCNC(=N)NCCC[C@H](N)C(O)=O
Name:N~5~-[N-(3-aminopropyl)carbamimidoyl]-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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