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Target
Carboxypeptidase B
Ligand
BDBM50296420
Substrate
n/a
Meas. Tech.
ChEMBL_580786 (CHEMBL1059768)
Ki
11900±n/a nM
Citation
 Fernández, D; Avilés, FX; Vendrell, J A new type of five-membered heterocyclic inhibitors of basic metallocarboxypeptidases. Eur J Med Chem 44:3266-71 (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:
BDBM50296420
Synonyms:
CHEMBL558714 | ethyl 2-(4-ethyl-5-((4-ethylphenoxy)methyl)-4H-1,2,4-triazol-3-ylthio)-3-methylbutanoate
Type:
Small organic molecule
Emp. Form.:
C20H29N3O3S
Mol. Mass.:
391.528
SMILES:
CCOC(=O)C(Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C
Structure:
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