Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50024178
Substrate
n/a
Meas. Tech.
ChEMBL_154893 (CHEMBL764012)
IC50
600±n/a nM
Citation
 Guégan, R; Diaz, J; Cazaubon, C; Beaumont, M; Carlet, C; Clément, J; Demarne, H; Mellet, M; Richaud, JP; Segondy, D Pepstatin analogues as novel renin inhibitors. J Med Chem 29:1152-9 (1987) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
RENI_RAT | Ren | Ren1
Type:
PROTEIN
Mol. Mass.:
44272.67
Organism:
Rattus norvegicus
Description:
ChEMBL_222765
Residue:
402
Sequence:
MGGRRMPLWALLLLWTSCSFSLPTDTASFGRILLKKMPSVREILEERGVDMTRISAEWGEFIKKSSFTNVTSPVVLTNYLDTQYYGEIGIGTPSQTFKVIFDTGSANLWVPSTKCGPLYTACEIHNLYDSSESSSYMENGTEFTIHYGSGKVKGFLSQDVVTVGGIIVTQTFGEVTELPLIPFMLAKFDGVLGMGFPAQAVDGVIPVFDHILSQRVLKEEVFSVYYSRESHLLGGEVVLGGSDPQHYQGNFHYVSISKAGSWQITMKGVSVGPATLLCEEGCMAVVDTGTSYISGPTSSLQLIMQALGVKEKRANNYVVNCSQVPTLPDISFYLGGRTYTLSNMDYVQKNPFRNDDLCILALQGLDIPPPTGPVWVLGATFIRKFYTEFDRHNNRIGFALAR
  
Inhibitor
Name:
BDBM50024178
Synonyms:
4-(2-{4-[2-(3-Adamantan-1-yl-2-tert-butoxycarbonylamino-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionylamino)-3-hydroxy-6-methyl-heptanoic acid methyl ester | CHEMBL3142806
Type:
Small organic molecule
Emp. Form.:
C44H73N7O10
Mol. Mass.:
860.0913
SMILES:
COC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)NC(=O)OC(C)(C)C |r,TLB:46:47:51:45.44.50,THB:46:45:51:47.52.48,48:47:44:49.51.50,48:49:44:47.52.46|
Structure:
Search PDB for entries with ligand similarity: