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BioLiP

PDB CCD ID: 2MR
Number of entries in BioLiP: 8
Chemical formula: C8 H18 N4 O2
InChI: InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKey: HVPFXCBJHIIJGS-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN/C(=N/C)/NCCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCN\C(=N/C)NC
CACTVS 3.341CNC(NCCC[CH](N)C(O)=O)=NC
OpenEye OEToolkits 1.5.0CNC(=NC)NCCCC(C(=O)O)N
CACTVS 3.341CNC(NCCC[C@H](N)C(O)=O)=NC
Name:N3, N4-DIMETHYLARGININE
DrugBank: DB02302
ZINC: ZINC000005965908
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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