Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50235945
Substrate
n/a
Meas. Tech.
ChEMBL_1658407 (CHEMBL4008019)
IC50
6.5±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:
BDBM50235945
Synonyms:
CHEMBL4068898
Type:
Small organic molecule
Emp. Form.:
C22H20F4N2O4S
Mol. Mass.:
484.464
SMILES:
Cc1c(cc(CCF)n1-c1ccc(F)cc1OC(F)F)C(=O)Nc1ccc(cc1)S(C)(=O)=O |(49.68,-18.43,;49.68,-19.97,;48.44,-20.87,;48.91,-22.34,;50.45,-22.34,;51.35,-23.59,;50.72,-24.99,;51.63,-26.24,;50.93,-20.87,;52.39,-20.4,;53.53,-21.43,;54.99,-20.96,;55.32,-19.45,;56.78,-18.98,;54.16,-18.42,;52.7,-18.9,;51.56,-17.87,;51.87,-16.36,;50.72,-15.34,;53.33,-15.88,;46.97,-20.4,;46.65,-18.89,;45.83,-21.43,;44.36,-20.95,;44.05,-19.45,;42.59,-18.97,;41.44,-20,;41.77,-21.51,;43.23,-21.98,;39.97,-19.52,;38.83,-20.56,;39.19,-18.18,;40.74,-18.18,)|
Structure:
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