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Target
Renin
Ligand
BDBM50281001
Substrate
n/a
Meas. Tech.
ChEBML_192729
IC50
11±n/a nM
Citation
 Plummer, M; Hamby, JM; Hingorani, G; Batley, BL; Rapundalo, ST Peptidomimetic inhibitors of renin incorporating topographically modified isosteres spanning the P1(→ P3)-P1' sites Bioorg Med Chem Lett 3:2119-2124 (1993)    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:
BDBM50281001
Synonyms:
(S)-2-[2-(Morpholine-4-sulfonylamino)-acetylamino]-pent-4-enoic acid [(1S,2R,3S)-2,3-dihydroxy-5-methyl-1-(4-naphthalen-1-yl-cyclohexylmethyl)-hexyl]-amide | CHEMBL308894
Type:
Small organic molecule
Emp. Form.:
C35H52N4O7S
Mol. Mass.:
672.875
SMILES:
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCC(CC1)c1cccc2ccccc12)NC(=O)[C@H](CC=C)NC(=O)CNS(=O)(=O)N1CCOCC1 |wU:29.35,6.6,wD:8.28,4.4,(14.61,-1.94,;13.28,-2.74,;13.3,-4.28,;11.95,-1.97,;10.62,-2.76,;10.62,-4.3,;9.27,-1.99,;9.27,-.45,;7.96,-2.78,;7.96,-4.32,;7.19,-5.65,;6.1,-6.75,;4.07,-6.94,;3.97,-8.73,;4.99,-7.68,;7.09,-7.43,;2.43,-8.73,;1.68,-7.38,;.12,-7.36,;-.65,-8.69,;.12,-10.04,;-.65,-11.37,;.1,-12.7,;1.66,-12.7,;2.43,-11.37,;1.66,-10.04,;6.61,-2.04,;5.3,-2.81,;5.3,-4.35,;3.95,-2.04,;3.94,-.5,;5.27,.27,;5.26,1.81,;2.61,-2.83,;1.27,-2.06,;1.27,-.52,;-.05,-2.85,;-1.39,-2.08,;-2.72,-2.85,;-1.95,-4.18,;-3.82,-3.95,;-4.05,-2.08,;-5.38,-2.85,;-6.72,-2.08,;-6.72,-.54,;-5.38,.23,;-4.05,-.54,)|
Structure:
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