Reaction Details
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Target
Renin
Ligand
BDBM50017774
Substrate
n/a
Meas. Tech.
ChEMBL_195953 (CHEMBL806848)
pH
6±n/a
IC50
4.8±n/a nM
Comments
extracted
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:
BDBM50017774
Synonyms:
CHEMBL29004 | {1-[1-(4-Azido-1-cyclohexylmethyl-2,3-dihydroxy-3-hydroxymethyl-butylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester{1-[1-(4-azido-1-cyclohexylmethyl-2,3-dihydroxy-3-hydroxymethyl-butylcarbamoyl)-2-(3H-
Type:
Small organic molecule
Emp. Form.:
C32H48N8O7
Mol. Mass.:
656.7729
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C(O)(CO)CN=[N+]=[N-]