Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50235931
Substrate
n/a
Meas. Tech.
ChEMBL_1658407 (CHEMBL4008019)
IC50
1.20±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:
BDBM50235931
Synonyms:
CHEMBL4087205
Type:
Small organic molecule
Emp. Form.:
C28H26ClFN2O4S
Mol. Mass.:
541.033
SMILES:
C[C@H](O)Cc1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1-c1ccc(F)cc1 |r,wU:1.0,(29.96,-24.22,;31.49,-24.07,;32.39,-25.31,;32.12,-22.66,;31.21,-21.41,;29.67,-21.41,;29.2,-19.95,;27.74,-19.47,;27.42,-17.97,;26.59,-20.5,;25.13,-20.03,;24.82,-18.52,;23.35,-18.04,;22.21,-19.08,;22.53,-20.59,;24,-21.06,;20.74,-18.6,;19.6,-19.64,;19.96,-17.26,;21.51,-17.25,;30.44,-19.04,;30.44,-17.5,;31.69,-19.95,;33.16,-19.47,;34.29,-20.51,;35.76,-20.03,;36.08,-18.53,;37.55,-18.05,;34.93,-17.49,;33.47,-17.97,;32.32,-16.95,;32.64,-15.44,;31.5,-14.42,;30.03,-14.9,;28.88,-13.87,;29.72,-16.42,;30.87,-17.43,)|
Structure:
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