Ligand

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Ligand Name:   3-Carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium
HET ID:   DLT PubChem:   70673858
DrugBank:   - ChEMBL:   CHEMBL3306341
Canonical SMILES:   FCC[N+](CCCC(=O)O)(C)C
Standard InChI:   InChI=1S/C8H16FNO2/c1-10(2,7-5-9)6-3-4-8(11)12/h3-7H2,1-2H3/p+1
Molecular Formula:   C8H17FNO2+ Mol. Weight:   178.22449 Heavy Atoms:   12
Charge:   1 Is Chiral:   False logP:   0.8971
HBD:   1 HBA:   2 TPSA:   37.3
#Bonds:   11 #Rotatable Bonds:   6 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 4BGM IC50 : 610.0 nM Binding MOAD SHOW