Ligand |
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| Ligand Name: N3, N4-DIMETHYLARGININE | ||
| HET ID: 2MR | PubChem: 169148 | |
| DrugBank: DB02302 | ChEMBL: CHEMBL1229966 | |
| Canonical SMILES: CN/C(=NC)/NCCC[C@@H](C(=O)O)N | ||
| Standard 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 | ||
| Molecular Formula: C8H18N4O2 | Mol. Weight: 202.25412 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 0.4554 |
| HBD: 4 | HBA: 6 | TPSA: 99.74 |
| #Bonds: 14 | #Rotatable Bonds: 7 | Shape Complexity: 0.75 |
| Stereocomplexity: 0.125 | Ligand Type: E2F1-R109me2s | |
Binding Affinity |
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