Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50044254
Substrate
n/a
Meas. Tech.
ChEMBL_1457062 (CHEMBL3369183)
EC50
1.000000±n/a nM
Citation
 Fauber, BP; Magnuson, S Modulators of the nuclear receptor retinoic acid receptor-related orphan receptor-¿ (ROR¿ or RORc). J Med Chem 57:5871-92 (2014) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Homo sapiens (Human)
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM50044254
Synonyms:
CHEMBL3314017
Type:
Small organic molecule
Emp. Form.:
C23H19Cl2F2NO4S
Mol. Mass.:
514.369
SMILES:
CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1 |(.3,-24.38,;1.64,-23.61,;2.96,-24.38,;3.73,-25.71,;2.19,-25.7,;4.3,-23.61,;5.64,-24.38,;6.98,-23.61,;6.97,-22.06,;8.3,-21.28,;9.64,-22.05,;9.64,-23.59,;10.97,-21.27,;12.31,-22.04,;12.31,-23.58,;13.64,-24.34,;13.65,-25.88,;14.97,-23.57,;14.96,-22.02,;16.29,-21.24,;13.63,-21.26,;16.31,-24.33,;16.31,-25.87,;17.65,-26.63,;18.98,-25.86,;18.97,-24.31,;17.63,-23.55,;17.62,-22.01,;18.95,-21.23,;18.93,-19.69,;20.29,-21.99,;5.64,-21.3,;4.31,-22.07,)|
Structure:
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