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Target
Renin
Ligand
BDBM50003165
Substrate
n/a
Meas. Tech.
ChEBML_195749
pH
7.4±n/a
IC50
1.1±n/a nM
Comments
extracted
Citation
 Weber, AE; Steiner, MG; Krieter, PA; Colletti, AE; Tata, JR; Halgren, TA; Ball, RG; Doyle, JJ; Schorn, TW; Stearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem 35:3755-73 (1992) [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:
BDBM50003165
Synonyms:
1N-[1-[12-cyclohexylmethyl-11-hydroxy-8-(1,4-oxazinan-4-ylmethyl)-4,10,14-trioxo-(1S,8R,11R,12S)-3,9-dioxa-13-azacyclotetradecanylcarbamoyl]-2-phenyl-(1S)-ethyl]-3-amino-3-methylbutanamide.trifluoroacetate | CID44348732 | morpholinomethyl macrocycle derivative 35
Type:
Small organic molecule
Emp. Form.:
C37H57N5O9
Mol. Mass.:
715.8766
SMILES:
CC(C)(N)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Structure:
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