Reaction Details |
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Target | Mineralocorticoid receptor |
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Ligand | BDBM50597081 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2222787 (CHEMBL5136121) |
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Ki | 596±n/a nM |
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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 Chem65:8127-8143 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Mineralocorticoid receptor |
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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: | METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTTENNYMEIVNVSCVSGAIPNNST
QGSSKEKHELLPYIQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYD
QQNQQGSLSPTKIYQNMEQLVKFYKENGHRSSTLSAMSRPLRSFMPDSAASMNGGALRAI
VKSPIICHEKSSSVSSPLNMASSVCSPVGINSMSSSTTSFGSFPVHSPITQGTSLTCSPS
VENRGSRSHSPTHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSP
ANLNNSRCSVSSPSNNTNNRSTLSSPTASTVGSIGSPISNAFSYATSGASAGAGAIQDVV
PSPDTHEKGAHDVPFPKTEEVEKAISNGVTGPLNIVQYIKSEPDGAFSSSCLGGNSKISP
SSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPG
FDGSCEDSAFPVGIKQEPDDGSYYPEASIPSSAIVGVNSGGQSFHYRIGAQGTISLSRSP
RDQSFQHLSSFPPVNTLVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRP
SKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACR
LQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSAL
VPQLTSITHALTPSPAMILENIEPETVYAGYDNSKPDTAESLLSTLNRLAAKQMIQVVKW
AKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQLLYFAPDLVFNEEKMHQS
AMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKEL
RKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESQALKVEFPAMLVEI
ITDQLPKVESGNAKPLYFHRK
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BDBM50597081 |
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n/a |
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Name | BDBM50597081 |
Synonyms: | CHEMBL5184647 |
Type | Small organic molecule |
Emp. Form. | C20H17FN2O3S |
Mol. Mass. | 384.424 |
SMILES | CS(=O)(=O)Nc1ccc(cc1)N(C(=O)c1ccccc1)c1ccc(F)cc1 |
Structure |
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