Reaction Details Report a problem with these data
Target
Carboxypeptidase B
Ligand
BDBM50296429
Substrate
n/a
Meas. Tech.
ChEMBL_580786 (CHEMBL1059768)
Ki
30200±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:
BDBM50296429
Synonyms:
2-(4-(2-methoxybenzyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio)-1-(4-methylpiperidin-1-yl)ethanone | CHEMBL558059
Type:
Small organic molecule
Emp. Form.:
C23H27N5O2S
Mol. Mass.:
437.558
SMILES:
COc1ccccc1Cn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccncc1
Structure:
Search PDB for entries with ligand similarity: