Ligand

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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