Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50235965
Substrate
n/a
Meas. Tech.
ChEMBL_1658407 (CHEMBL4008019)
IC50
6.2±n/a nM
Citation
 Martín-Martínez, M; Pérez-Gordillo, FL; Álvarez de la Rosa, D; Rodríguez, Y; Gerona-Navarro, G; González-Muñiz, R; Zhou, MM Modulating Mineralocorticoid Receptor with Non-steroidal Antagonists. New Opportunities for the Development of Potent and Selective Ligands without Off-Target Side Effects. J Med Chem 60:2629-2650 (2017) [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:
BDBM50235965
Synonyms:
CHEMBL4088459
Type:
Small organic molecule
Emp. Form.:
C24H24F4N2O4S
Mol. Mass.:
512.517
SMILES:
C[C@H](O)[C@@H](C)c1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(F)cc1C(F)(F)F |r,wU:1.0,wD:3.3,(68.05,-24.81,;69.58,-24.65,;70.49,-25.9,;70.21,-23.24,;71.74,-23.08,;69.31,-22,;67.77,-22,;67.3,-20.53,;65.83,-20.06,;65.51,-18.55,;64.69,-21.09,;63.22,-20.61,;62.91,-19.1,;61.45,-18.63,;60.3,-19.66,;60.63,-21.17,;62.09,-21.64,;58.83,-19.18,;57.69,-20.22,;58.05,-17.84,;59.6,-17.84,;68.54,-19.62,;68.54,-18.08,;69.79,-20.53,;71.25,-20.06,;72.39,-21.09,;73.85,-20.62,;74.18,-19.11,;75.64,-18.63,;73.02,-18.08,;71.56,-18.56,;70.42,-17.53,;70.73,-16.02,;68.95,-18.01,;69.32,-16.43,)|
Structure:
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