Reaction Details Report a problem with these data
Target
Dopamine beta-hydroxylase
Ligand
BDBM50406084
Substrate
n/a
Meas. Tech.
ChEMBL_59302 (CHEMBL669437)
IC50
173780.08±n/a nM
Citation
 Hahn, M; Rogers, D Receptor surface models. 2. Application to quantitative structure-activity relationships studies. J Med Chem 38:2091-102 (1995) [PubMed]  Article 
Target
Name:
Dopamine beta-hydroxylase
Synonyms:
DBH | DOPO_HUMAN | Dopamine beta-monooxygenase | Soluble dopamine beta-hydroxylase
Type:
PROTEIN
Mol. Mass.:
69062.68
Organism:
Homo sapiens (Human)
Description:
ChEMBL_59428
Residue:
617
Sequence:
MPALSRWASLPGPSMREAAFMYSTAVAIFLVILVAALQGSAPRESPLPYHIPLDPEGSLELSWNVSYTQEAIHFQLLVRRLKAGVLFGMSDRGELENADLVVLWTDGDTAYFADAWSDQKGQIHLDPQQDYQLLQVQRTPEGLTLLFKRPFGTCDPKDYLIEDGTVHLVYGILEEPFRSLEAINGSGLQMGLQRVQLLKPNIPEPELPSDACTMEVQAPNIQIPSQETTYWCYIKELPKGFSRHHIIKYEPIVTKGNEALVHHMEVFQCAPEMDSVPHFSGPCDSKMKPDRLNYCRHVLAAWALGAKAFYYPEEAGLAFGGPGSSRYLRLEVHYHNPLVIEGRNDSSGIRLYYTAKLRRFNAGIMELGLVYTPVMAIPPRETAFILTGYCTDKCTQLALPPSGIHIFASQLHTHLTGRKVVTVLVRDGREWEIVNQDNHYSPHFQEIRMLKKVVSVHPGDVLITSCTYNTEDRELATVGGFGILEEMCVNYVHYYPQTQLELCKSAVDAGFLQKYFHLINRFNNEDVCTCPQASVSQQFTSVPWNSFNRDVLKALYSFAPISMHCNKSSAVRFQGEWNLQPLPKVISTLEEPTPQCPTSQGRSPAGPTVVSIGGGKG
  
Inhibitor
Name:
BDBM50406084
Synonyms:
CHEMBL67213
Type:
Small organic molecule
Emp. Form.:
C12H11F3N2OS
Mol. Mass.:
288.289
SMILES:
COc1ccc(Cn2cc[nH]c2=S)cc1C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: