Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM18033
Substrate
Green Flourescent Protein (tGFP)
Meas. Tech.
In Vitro Renin IC50 Determinations (Tandem GFP FRET Assay)
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
0.18±n/a nM
Citation
Holsworth, DD; Cai, C; Cheng, XM; Cody, WL; Downing, DM; Erasga, N; Lee, C; Powell, NA; Edmunds, JJ; Stier, M; Jalaie, M; Zhang, E; McConnell, P; Ryan, MJ; Bryant, J; Li, T; Kasani, A; Hall, E; Subedi, R; Rahim, M; Maiti, S Ketopiperazine-based renin inhibitors: optimization of the "C" ring. Bioorg Med Chem Lett 16:2500-4 (2006) [PubMed] Article
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Human
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
Inhibitor
Name:
BDBM18033
Synonyms:
Ketopiperazine-based inhibitor, 13
Type:
Small organic molecule
Emp. Form.:
C34H41N3O7S
Mol. Mass.:
635.77
SMILES:
COCCCN1C(=O)COc2ccc(SC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
Substrate
Name:
Green Flourescent Protein (tGFP)
Synonyms:
n/a
Type:
Other Protein Type
Mol. Mass.:
358.43
Organism:
n/a
Description:
The tGFP substrate contained a nine amino acid (Ile-His-Pro-Phe-His-Leu-Val-Ile-His) recognition sequence for human renin flanked by two GPF proteins (W1B and Topaz).
Residue:
3
Sequence:
NA