Ligand

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Ligand Name:   2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
HET ID:   REE PubChem:   123869
DrugBank:   - ChEMBL:   CHEMBL1235648
Canonical SMILES:   OC(=O)CCN[N+](C)(C)C
Standard InChI:   InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3/p+1
Molecular Formula:   C6H15N2O2+ Mol. Weight:   147.1955 Heavy Atoms:   10
Charge:   1 Is Chiral:   False logP:   0.0628
HBD:   2 HBA:   3 TPSA:   49.33
#Bonds:   9 #Rotatable Bonds:   4 Shape Complexity:   0.8333333
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Gamma-butyrobetaine dioxygenase O75936 (BODG_HUMAN) Homo sapiens 3MS5
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