Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50405190
Substrate
n/a
Meas. Tech.
ChEBML_193377
pH
7.4±n/a
Ki
230±n/a nM
Comments
extracted
Citation
Boger, J; Payne, LS; Perlow, DS; Lohr, NS; Poe, M; Blaine, EH; Ulm, EH; Schorn, TW; LaMont, BI; Lin, TY Renin inhibitors. Syntheses of subnanomolar, competitive, transition-state analogue inhibitors containing a novel analogue of statine. J Med Chem 28:1779-90 (1986) [PubMed] Article
More Info.:
Target
Name:
Renin
Synonyms:
RENI_RAT | Ren | Ren1
Type:
PROTEIN
Mol. Mass.:
44272.67
Organism:
Rhizopus chinensis
Description:
ChEMBL_193377
Residue:
402
Sequence:
MGGRRMPLWALLLLWTSCSFSLPTDTASFGRILLKKMPSVREILEERGVDMTRISAEWGEFIKKSSFTNVTSPVVLTNYLDTQYYGEIGIGTPSQTFKVIFDTGSANLWVPSTKCGPLYTACEIHNLYDSSESSSYMENGTEFTIHYGSGKVKGFLSQDVVTVGGIIVTQTFGEVTELPLIPFMLAKFDGVLGMGFPAQAVDGVIPVFDHILSQRVLKEEVFSVYYSRESHLLGGEVVLGGSDPQHYQGNFHYVSISKAGSWQITMKGVSVGPATLLCEEGCMAVVDTGTSYISGPTSSLQLIMQALGVKEKRANNYVVNCSQVPTLPDISFYLGGRTYTLSNMDYVQKNPFRNDDLCILALQGLDIPPPTGPVWVLGATFIRKFYTEFDRHNNRIGFALAR
Inhibitor
Name:
BDBM50405190
Synonyms:
CHEMBL2028991
Type:
Small organic molecule
Emp. Form.:
C57H80N12O9
Mol. Mass.:
1077.3201
SMILES:
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|