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Target
Mineralocorticoid receptor
Ligand
BDBM50398059
Substrate
n/a
Meas. Tech.
ChEMBL_873651 (CHEMBL2188767)
IC50
2.4±n/a nM
Citation
 Piotrowski, DW Mineralocorticoid receptor antagonists for the treatment of hypertension and diabetic nephropathy. J Med Chem 55:7957-66 (2012) [PubMed]  Article 
Target
Name:
Mineralocorticoid receptor
Synonyms:
MCR | MCR_HUMAN | MLR | MR | NR3C2 | Nuclear receptor subfamily 3 group C member 2
Type:
Enzyme
Mol. Mass.:
107076.42
Organism:
Homo sapiens (Human)
Description:
P08235
Residue:
984
Sequence:
METKGYHSLPEGLDMERRWGQVSQAVERSSLGPTERTDENNYMEIVNVSCVSGAIPNNSTQGSSKEKQELLPCLQQDNNRPGILTSDIKTELESKELSATVAESMGLYMDSVRDADYSYEQQNQQGSMSPAKIYQNVEQLVKFYKGNGHRPSTLSCVNTPLRSFMSDSGSSVNGGVMRAVVKSPIMCHEKSPSVCSPLNMTSSVCSPAGINSVSSTTASFGSFPVHSPITQGTPLTCSPNVENRGSRSHSPAHASNVGSPLSSPLSSMKSSISSPPSHCSVKSPVSSPNNVTLRSSVSSPANINNSRCSVSSPSNTNNRSTLSSPAASTVGSICSPVNNAFSYTASGTSAGSSTLRDVVPSPDTQEKGAQEVPFPKTEEVESAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNSKINSDSSFSVPIKQESTKHSCSGTSFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDGNCEGSGFPVGIKQEPDDGSYYPEASIPSSAIVGVNSGGQSFHYRIGAQGTISLSRSARDQSFQHLSSFPPVNTLVESWKSHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGIHEEQPQQQQPPPPPPPPQSPEEGTTYIAPAKEPSVNTALVPQLSTISRALTPSPVMVLENIEPEIVYAGYDSSKPDTAENLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMHQISLQFVRLQLTFEEYTIMKVLLLLSTIPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNNSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESHALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK
  
Inhibitor
Name:
BDBM50398059
Synonyms:
CHEMBL2181932
Type:
Small organic molecule
Emp. Form.:
C22H21F3N2O4S
Mol. Mass.:
466.473
SMILES:
Cc1c(cn(CCO)c1-c1ccccc1C(F)(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O |(34.95,-31.12,;34.48,-32.58,;33,-33.06,;33.01,-34.59,;34.47,-35.07,;34.85,-36.57,;33.75,-37.64,;34.13,-39.14,;35.38,-33.82,;36.92,-33.83,;37.69,-32.5,;39.22,-32.5,;40,-33.83,;39.22,-35.17,;37.68,-35.17,;36.92,-36.49,;35.38,-36.49,;37.68,-37.83,;36.13,-37.83,;31.76,-32.15,;31.76,-30.61,;30.43,-32.92,;29.09,-32.16,;27.76,-32.93,;26.42,-32.16,;26.42,-30.61,;27.75,-29.84,;29.08,-30.6,;25.09,-29.84,;25.08,-28.3,;24.31,-31.17,;23.55,-29.84,)|
Structure:
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