Reaction Details
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Target
Renin
Ligand
BDBM50434420
Substrate
n/a
Meas. Tech.
ChEMBL_962066 (CHEMBL2388034)
IC50
1.9±n/a nM
Citation
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More Info.:
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:
BDBM50434420
Synonyms:
CHEMBL2387572
Type:
Small organic molecule
Emp. Form.:
C31H46ClFN4O4
Mol. Mass.:
593.173
SMILES:
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)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,(40.42,-16.49,;39.09,-17.26,;37.76,-16.49,;39.09,-18.8,;37.75,-19.57,;36.42,-18.8,;36.42,-17.26,;35.08,-19.56,;33.75,-18.79,;35.08,-21.1,;33.75,-21.87,;32.41,-21.1,;31.07,-21.87,;29.74,-21.11,;31.08,-23.41,;32.42,-24.18,;33.74,-23.41,;35.23,-23.81,;34.14,-24.9,;29.74,-24.19,;28.41,-23.43,;27.08,-24.2,;25.75,-23.43,;27.08,-25.74,;28.41,-26.51,;29.75,-25.74,;31.08,-26.51,;40.42,-19.57,;40.42,-21.11,;41.75,-18.8,;43.09,-19.58,;44.28,-18.3,;44.27,-16.81,;45.62,-16.34,;44.58,-17.56,;44.59,-19.16,;45.99,-19.72,;47.01,-18.44,;48.09,-19.53,;47.02,-16.91,;45.61,-18.79,)|