Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50235932
Substrate
n/a
Meas. Tech.
ChEMBL_1658407 (CHEMBL4008019)
IC50
3.10±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:
BDBM50235932
Synonyms:
CHEMBL4065788
Type:
Small organic molecule
Emp. Form.:
C23H22ClF3N2O4S
Mol. Mass.:
514.945
SMILES:
C[C@H](O)Cc1cc(C(=O)Nc2ccc(cc2)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1C(F)(F)F |r,wU:1.0,(10.44,-22.82,;11.97,-22.66,;12.88,-23.9,;12.6,-21.25,;11.7,-20,;10.16,-20,;9.69,-18.54,;8.22,-18.07,;7.9,-16.56,;7.08,-19.1,;5.61,-18.62,;5.3,-17.11,;3.84,-16.64,;2.69,-17.67,;3.02,-19.18,;4.48,-19.65,;1.22,-17.19,;.08,-18.23,;.44,-15.85,;1.99,-15.85,;10.93,-17.63,;10.93,-16.09,;12.18,-18.54,;13.64,-18.07,;14.78,-19.1,;16.24,-18.63,;16.57,-17.12,;18.03,-16.64,;15.41,-16.09,;13.95,-16.56,;12.81,-15.54,;13.12,-14.03,;11.34,-16.02,;11.71,-14.44,)|
Structure:
Search PDB for entries with ligand similarity: