Reaction Details Report a problem with these data
Target
Dopamine beta-hydroxylase
Ligand
BDBM50014970
Substrate
n/a
Meas. Tech.
ChEBML_59422
IC50
35±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:
BDBM50014970
Synonyms:
4-(3,5-Difluoro-4-hydroxy-benzyl)-2,4-dihydro-[1,2,4]triazole-3-thione | CHEMBL351873
Type:
Small organic molecule
Emp. Form.:
C9H7F2N3OS
Mol. Mass.:
243.233
SMILES:
Oc1c(F)cc(Cn2cn[nH]c2=S)cc1F
Structure:
Search PDB for entries with ligand similarity: