Ligand

Download

Ligand Name:   2-(3,4-dichlorophenyl)ethanamine
HET ID:   42J PubChem:   217958
DrugBank:   - ChEMBL:   CHEMBL147230
Canonical SMILES:   NCCc1ccc(c(c1)Cl)Cl
Standard InChI:   InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
Molecular Formula:   C8H9Cl2N Mol. Weight:   190.06976 Heavy Atoms:   11
Charge:   0 Is Chiral:   False logP:   3.1949
HBD:   1 HBA:   1 TPSA:   26.02
#Bonds:   11 #Rotatable Bonds:   2 Shape Complexity:   0.25
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Sodium-dependent dopamine transporter Q7K4Y6 (DAT_DROME) Drosophila melanogaster 4XPA
-
-
SHOW