Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006859
Substrate
n/a
Meas. Tech.
ChEBML_192722
IC50
2.7±n/a nM
Citation
Steinbaugh, BA; Hamilton, HW; Patt, WC; Rapundalo, ST; Batley, BL; Lunney, EA; Ryan, MJ; Hicks, GW Tetrahydroisoquinoline as a phenylalanine replacement in renin inhibitors Bioorg Med Chem Lett 4:2029-2034 (1994) Article
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:
BDBM50006859
Synonyms:
2-((R)-(S)-Morpholine-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(S)-2-(2-amino-thiazol-4-yl)-1-[(S)-1-((S)-cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexylcarbamoyl]-ethyl}-amide | 2-(Morpholine-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [2-(2-amino-thiazol-4-yl)-1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethyl]-amide | CHEMBL60610
Type:
Small organic molecule
Emp. Form.:
C34H52N6O7S2
Mol. Mass.:
720.943
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1csc(N)n1)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)N1CCOCC1