Ligand Download |
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Ligand Name: (2~{S})-6-methyl-~{N}-propan-2-yl-heptan-2-amine | ||
HET ID: 9AE | PubChem: 38988589 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(CCC[C@@H](NC(C)C)C)C | ||
Standard InChI: InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3/t11-/m0/s1 | ||
Molecular Formula: C11H25N | Mol. Weight: 171.3229 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: True | logP: 3.5901 |
HBD: 1 | HBA: 1 | TPSA: 12.03 |
#Bonds: 12 | #Rotatable Bonds: 6 | Shape Complexity: 1.0 |
Stereocomplexity: 0.09090909 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
DNA (cytosine-5)-methyltransferase 3B | Q9UBC3 (DNM3B_HUMAN) | Homo sapiens | 5NV2 |
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