Reaction Details Report a problem with these data
Target
Carboxypeptidase B
Ligand
BDBM81910
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
5.8e+2±n/a nM
Citation
 Fernández, D; Avilés, FX; Vendrell, J Aromatic organic compounds as scaffolds for metallocarboxypeptidase inhibitor design. Chem Biol Drug Des 73:75-82 (2009) [PubMed]  Article 
Target
Name:
Carboxypeptidase B
Synonyms:
CPB
Type:
Enzyme
Mol. Mass.:
48382.46
Organism:
Helicoverpa zea (Corn earworm moth) (Heliothis zea)
Description:
Q3T905
Residue:
429
Sequence:
MKFLLVLALCAVVYAKHEAYIGWKSYYVGVATDAQAKALEPLIQKYELDFLSHPTKSREGVVLVKPQHQAGFVQDIEAGGITYRIHADDVKRQLEFDDQLIEMQRMSSFTRTAGRQLPYDNYQELEVIDEYLDYIGEKYPDVATVVNAAESFEGRPIKYIKISTTNFEDENKPVIFIDGGIHAREWISPPSVTWAIHKLVEDVTENDLLEKFDWILLPVVNPDGYKYTFTNERFWRKTRSTNNNPLSQICRGADGNRNFDFVWNSIGTSNSPCSDIYAGTSAFSEVETRVVRDILHEHLARMALYLTMHSFGSMILYPWGHDGSLSQNALGLHTVGVAMASVIQSNALPNFPPYTVGNSALVIGYYIAGSSEDYAHSIGVPLSYTYELPGLSSGWDGFHLPPQYIEQVCRETWEGIVVGARRAGDLFRK
  
Inhibitor
Name:
BDBM81910
Synonyms:
1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-3-(1-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea, 10
Type:
Small organic molecule
Emp. Form.:
C25H25N3OS2
Mol. Mass.:
447.616
SMILES:
CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: