Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50352891
Substrate
n/a
Meas. Tech.
ChEMBL_767618 (CHEMBL1825730)
IC50
6±n/a nM
Citation
 Matter, H; Scheiper, B; Steinhagen, H; Böcskei, Z; Fleury, V; McCort, G Structure-based design and optimization of potent renin inhibitors on 5- or 7-azaindole-scaffolds. Bioorg Med Chem Lett 21:5487-92 (2011) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM50352891
Synonyms:
CHEMBL1824645
Type:
Small organic molecule
Emp. Form.:
C27H27FN4O2
Mol. Mass.:
458.5273
SMILES:
COc1cc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: