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Target
Mineralocorticoid receptor
Ligand
BDBM50318300
Substrate
n/a
Meas. Tech.
ChEMBL_2222787 (CHEMBL5136121)
Ki
44±n/a nM
Citation
 Iijima, T; Katoh, M; Takedomi, K; Yamamoto, Y; Akatsuka, H; Shirata, N; Nishi, A; Takakuwa, M; Watanabe, Y; Munakata, H; Koyama, N; Ikeda, T; Iguchi, T; Kato, H; Kikkawa, K; Kawaguchi, T Discovery of Apararenone (MT-3995) as a Highly Selective, Potent, and Novel Nonsteroidal Mineralocorticoid Receptor Antagonist. J Med Chem 65:8127-8143 (2022) [PubMed] 
Target
Name:
Mineralocorticoid receptor
Synonyms:
MCR_RAT | MR | Mineralocorticoid Receptor (MR) | Mineralocorticoid receptor | Mlr | Nr3c2 | Nuclear receptor subfamily 3 group C member 2 | mineralocorticoid
Type:
Enzyme Catalytic Domain
Mol. Mass.:
106748.15
Organism:
RAT
Description:
mineralocorticoid 0 RAT::P22199
Residue:
981
Sequence:
METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTTENNYMEIVNVSCVSGAIPNNSTQGSSKEKHELLPYIQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPTKIYQNMEQLVKFYKENGHRSSTLSAMSRPLRSFMPDSAASMNGGALRAIVKSPIICHEKSSSVSSPLNMASSVCSPVGINSMSSSTTSFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPTHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNNTNNRSTLSSPTASTVGSIGSPISNAFSYATSGASAGAGAIQDVVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGPLNIVQYIKSEPDGAFSSSCLGGNSKISPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDGSCEDSAFPVGIKQEPDDGSYYPEASIPSSAIVGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNTLVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLTSITHALTPSPAMILENIEPETVYAGYDNSKPDTAESLLSTLNRLAAKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQLLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESQALKVEFPAMLVEIITDQLPKVESGNAKPLYFHRK
  
Inhibitor
Name:
BDBM50318300
Synonyms:
CHEMBL1095097 | EPLERENONE | SC-66110
Type:
Small organic molecule
Emp. Form.:
C24H30O6
Mol. Mass.:
414.4914
SMILES:
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6|
Structure:
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