Ligand Download |
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Ligand Name: 4-(dipropylamino)butanenitrile | ||
HET ID: 9AH | PubChem: 98747 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCN(CCCC#N)CCC | ||
Standard InChI: InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3 | ||
Molecular Formula: C10H20N2 | Mol. Weight: 168.2792 | Heavy Atoms: 12 |
Charge: 0 | Is Chiral: False | logP: 2.41218 |
HBD: 0 | HBA: 2 | TPSA: 27.03 |
#Bonds: 11 | #Rotatable Bonds: 7 | 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 | 5NV0 |
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