Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503473
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
0.350±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:
BDBM503473
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 45
Type:
Small organic molecule
Emp. Form.:
C25H32ClF5N4O2
Mol. Mass.:
550.992
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F |r,wU:9.8,wD:12.12,(-2.98,-2.07,;-3.61,-.66,;-2.71,.58,;-3.18,2.05,;-1.94,2.95,;-1.94,4.49,;-3.27,5.26,;-.6,5.26,;-.6,6.8,;.73,7.57,;.73,9.11,;2.07,9.88,;3.4,9.11,;4.73,9.88,;3.4,7.57,;2.07,6.8,;-.69,2.05,;.77,2.52,;-1.17,.58,;-.26,-.66,;-.89,-2.07,;.02,-3.31,;1.55,-3.15,;2.46,-4.4,;1.83,-5.81,;3.24,-6.43,;.42,-5.18,;1.2,-7.21,;.58,-8.62,;2.61,-7.84,;-.2,-6.59,;2.18,-1.75,;1.27,-.5,;1.9,.91,;3.43,1.07,;4.06,2.47,;4.33,-.18,)|
Structure:
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