Ligand Download |
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Ligand Name: 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium | ||
HET ID: QTK | PubChem: 22613603 | |
DrugBank: - | ChEMBL: CHEMBL1789489 | |
Canonical SMILES: c1ccc(cc1)C[n+]1ccc(cc1)N1CCCC1 | ||
Standard InChI: InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1 | ||
Molecular Formula: C16H19N2+ | Mol. Weight: 239.33546 | Heavy Atoms: 18 |
Charge: 1 | Is Chiral: False | logP: 2.6876 |
HBD: 0 | HBA: 1 | TPSA: 7.12 |
#Bonds: 20 | #Rotatable Bonds: 3 | Shape Complexity: 0.3125 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Choline kinase alpha | P35790 (CHKA_HUMAN) | Homo sapiens | 7A04 |
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