Reaction Details Report a problem with these data
Target
Dopamine beta-hydroxylase
Ligand
BDBM50014968
Substrate
n/a
Meas. Tech.
ChEBML_59422
IC50
2600±n/a nM
Citation
 Kruse, LI; Kaiser, C; DeWolf, WE; Finkelstein, JA; Frazee, JS; Hilbert, EL; Ross, ST; Flaim, KE; Sawyer, JL Some benzyl-substituted imidazoles, triazoles, tetrazoles, pyridinethiones, and structural relatives as multisubstrate inhibitors of dopamine beta-hydroxylase. 4. Structure-activity relationships at the copper binding site. J Med Chem 33:781-9 (1990) [PubMed]  Article 
Target
Name:
Dopamine beta-hydroxylase
Synonyms:
DBH | DOPO_BOVIN
Type:
PROTEIN
Mol. Mass.:
68136.39
Organism:
Bos taurus
Description:
ChEMBL_50738
Residue:
610
Sequence:
MQVPSPSVREAASMYGTAVAVFLVILVAALQGSAPAESPFPFHIPLDPEGTLELSWNISYAQETIYFQLLVRELKAGVLFGMSDRGELENADLVVLWTDRDGAYFGDAWSDQKGQVHLDSQQDYQLLRAQRTPEGLYLLFKRPFGTCDPNDYLIEDGTVHLVYGFLEEPLRSLESINTSGLHTGLQRVQLLKPSIPKPALPADTRTMEIRAPDVLIPGQQTTYWCYVTELPDGFPRHHIVMYEPIVTEGNEALVHHMEVFQCAAEFETIPHFSGPCDSKMKPQRLNFCRHVLAAWALGAKAFYYPEEAGLAFGGPGSSRFLRLEVHYHNPLVITGRRDSSGIRLYYTAALRRFDAGIMELGLAYTPVMAIPPQETAFVLTGYCTDKCTQLALPASGIHIFASQLHTHLTGRKVVTVLARDGRETEIVNRDNHYSPHFQEIRMLKKVVSVQPGDVLITSCTYNTEDRRLATVGGFGILEEMCVNYVHYYPQTQLELCKSAVDPGFLHKYFRLVNRFNSEEVCTCPQASVPEQFASVPWNSFNREVLKALYGFAPISMHCNRSSAVRFQGEWNRQPLPEIVSRLEEPTPHCPASQAQSPAGPTVLNISGGKG
  
Inhibitor
Name:
BDBM50014968
Synonyms:
1-(4-Hydroxy-benzyl)-1,3-dihydro-imidazole-2-thione | 4-(2-Mercapto-imidazol-1-ylmethyl)-phenol | CHEMBL164747
Type:
Small organic molecule
Emp. Form.:
C10H10N2OS
Mol. Mass.:
206.264
SMILES:
Oc1ccc(Cn2cc[nH]c2=S)cc1
Structure:
Search PDB for entries with ligand similarity: