Ligand Download |
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Ligand Name: N1-(2-hydroxyethyl)-2-methyl-1,2-propanediamine | ||
HET ID: 9AK | PubChem: 226840 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: OCCNCC(N)(C)C | ||
Standard InChI: InChI=1S/C6H16N2O/c1-6(2,7)5-8-3-4-9/h8-9H,3-5,7H2,1-2H3 | ||
Molecular Formula: C6H16N2O | Mol. Weight: 132.20404 | Heavy Atoms: 9 |
Charge: 0 | Is Chiral: False | logP: 0.3968 |
HBD: 3 | HBA: 3 | TPSA: 58.28 |
#Bonds: 8 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
Stereocomplexity: 0.0 |
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 | 5NV7 |
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