Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50333947
Substrate
n/a
Meas. Tech.
ChEMBL_700283 (CHEMBL1647501)
Ki
340±n/a nM
Citation
Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett 21:358-62 (2010) [PubMed] 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:
BDBM50333947
Synonyms:
(S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-2,15-dioxo-4-phenyl-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-3,N-dimethyl-butyramide | CHEMBL1644465
Type:
Small organic molecule
Emp. Form.:
C34H42N4O7S
Mol. Mass.:
650.785
SMILES:
CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r|