Ligand

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Ligand Name:   ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium
HET ID:   NM3 PubChem:   51347809
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC[N+](CCCC(=O)O)(C)C
Standard InChI:   InChI=1S/C8H17NO2/c1-4-9(2,3)7-5-6-8(10)11/h4-7H2,1-3H3/p+1
Molecular Formula:   C8H18NO2+ Mol. Weight:   160.23402 Heavy Atoms:   11
Charge:   1 Is Chiral:   False logP:   0.9475
HBD:   1 HBA:   2 TPSA:   37.3
#Bonds:   10 #Rotatable Bonds:   5 Shape Complexity:   0.875
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 4C5W IC50 : 3300.0 nM Binding MOAD SHOW