Ligand Download |
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Ligand Name: trimethyl(3-oxidanylphosphonoylpropyl)azanium | ||
HET ID: RTK | PubChem: 73167558 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: OP(=O)CCC[N+](C)(C)C | ||
Standard InChI: InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3/p+1 | ||
Molecular Formula: C6H17NO2P+ | Mol. Weight: 166.17844 | Heavy Atoms: 10 |
Charge: 1 | Is Chiral: False | logP: 0.5497 |
HBD: 2 | HBA: 2 | TPSA: 60.77 |
#Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 1.0 |
Stereocomplexity: 0.16666667 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Gamma-butyrobetaine dioxygenase | O75936 (BODG_HUMAN) | Homo sapiens | 4BGK | IC50 : 520.0 nM | Binding MOAD | SHOW |