Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503474
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
0.660±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Wolin, RL; Fourie, AM; Xue, X Pyridinyl pyrazoles as modulators of RORγT US Patent  US11034658 Publication Date 6/15/2021 
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:
BDBM503474
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 46
Type:
Small organic molecule
Emp. Form.:
C25H32ClF5N4O3
Mol. Mass.:
566.992
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F |r,wU:9.8,wD:9.9,13.13,(-2.03,-2.54,;-2.66,-1.13,;-1.75,.12,;-2.23,1.58,;-.98,2.49,;-.98,4.03,;.35,4.8,;-2.31,4.8,;-2.31,6.34,;-3.65,7.11,;-2.26,7.78,;-4.46,5.8,;-6,5.85,;-6.73,7.21,;-8.27,7.27,;-5.91,8.52,;-4.37,8.47,;.26,1.58,;1.73,2.06,;-.21,.12,;.69,-1.13,;.07,-2.54,;.97,-3.78,;2.5,-3.62,;3.41,-4.87,;4.94,-4.71,;5.1,-6.24,;4.78,-3.17,;6.47,-4.54,;8,-4.38,;6.63,-6.08,;6.31,-3.01,;3.13,-2.21,;2.23,-.97,;2.85,.44,;4.38,.6,;5.01,2.01,;5.29,-.65,)|
Structure:
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