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BioLiP

PDB CCD ID: DA2
Number of entries in BioLiP: 5
Chemical formula: C8 H18 N4 O2
InChI: InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKey: YDGMGEXADBMOMJ-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)C(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CN(C)C(=N)NCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C
CACTVS 3.385CN(C)C(=N)NCCC[CH](N)C(O)=O
ACDLabs 12.01CN(C)C(/NCCCC(N)C(=O)O)=N
Name:NG,NG-DIMETHYL-L-ARGININE;
ADMA
ChEMBL: CHEMBL457530
DrugBank: DB01686
ZINC: ZINC000001529718
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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