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Target
Renin
Ligand
BDBM50434418
Substrate
n/a
Meas. Tech.
ChEMBL_962066 (CHEMBL2388034)
IC50
1.7±n/a nM
Citation
 Nakamura, Y; Fujimoto, T; Ogawa, Y; Namiki, H; Suzuki, S; Asano, M; Sugita, C; Mochizuki, A; Miyazaki, S; Tamaki, K; Nagai, Y; Inoue, S; Nagayama, T; Kato, M; Chiba, K; Takasuna, K; Nishi, T Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor. Bioorg Med Chem 21:3175-96 (2013) [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:
BDBM50434418
Synonyms:
CHEMBL2387574
Type:
Small organic molecule
Emp. Form.:
C32H49FN4O4
Mol. Mass.:
572.7543
SMILES:
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,30.31,wD:7.7,37.40,TLB:29:30:40.36.37:34.33.32,29:30:32:40.37.39,38:37:30:34.33.32,THB:36:35:32:40.37.39,36:37:30.35.34:32,38:37:30.35.34:32,39:37:30:34.33.32,39:33:30:40.36.37,(38.43,-31.11,;37.09,-31.88,;35.76,-31.1,;37.09,-33.42,;35.75,-34.18,;34.42,-33.41,;34.42,-31.87,;33.09,-34.18,;31.75,-33.41,;33.08,-35.72,;31.75,-36.49,;30.41,-35.72,;29.07,-36.49,;27.74,-35.72,;29.08,-38.03,;30.42,-38.8,;31.74,-38.03,;33.23,-38.42,;32.14,-39.51,;27.75,-38.81,;26.41,-38.04,;25.08,-38.81,;23.75,-38.04,;25.08,-40.36,;26.41,-41.13,;27.75,-40.36,;29.09,-41.12,;38.42,-34.19,;38.42,-35.73,;39.76,-33.42,;41.09,-34.19,;42.29,-32.91,;42.28,-31.43,;43.62,-30.95,;42.58,-32.18,;42.59,-33.77,;43.99,-34.34,;45.01,-33.06,;46.09,-34.15,;45.02,-31.53,;43.61,-33.41,)|
Structure:
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