Structure of PDB 5vqh Chain A Binding Site BS01 |
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Ligand ID | 2MR |
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 | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CN/C(=N/C)/NCCC[C@@H](C(=O)O)N | ACDLabs 10.04 | O=C(O)C(N)CCCN\C(=N/C)NC | CACTVS 3.341 | CNC(NCCC[CH](N)C(O)=O)=NC | OpenEye OEToolkits 1.5.0 | CNC(=NC)NCCCC(C(=O)O)N | CACTVS 3.341 | CNC(NCCC[C@H](N)C(O)=O)=NC |
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Formula | C8 H18 N4 O2 |
Name | N3, N4-DIMETHYLARGININE |
ChEMBL | |
DrugBank | DB02302 |
ZINC | ZINC000005965908
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PDB chain | 5vqh Chain A Residue 501
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Enzyme Commision number |
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