Ligand Download |
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Ligand Name: [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | ||
HET ID: EHH | PubChem: 138115332 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NCc1cc(C)c(c(c1)C)c1ncn(c1c1ccncc1)C | ||
Standard InChI: InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3 | ||
Molecular Formula: C18H20N4 | Mol. Weight: 292.3782 | Heavy Atoms: 22 |
Charge: 0 | Is Chiral: False | logP: 3.9249 |
HBD: 1 | HBA: 4 | TPSA: 56.73 |
#Bonds: 24 | #Rotatable Bonds: 3 | Shape Complexity: 0.22222222 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Histone-lysine N-methyltransferase NSD3 | Q9BZ95 (NSD3_HUMAN) | Homo sapiens | 6G2E |
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