Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503475
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
1.70±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:
BDBM503475
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-N-(((1R*,2R*,4R*)-1,2-dihydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1-ethyl-1H-pyrazole-3-carboxamide | US11034658, Example 47
Type:
Small organic molecule
Emp. Form.:
C25H32ClF5N4O4
Mol. Mass.:
582.991
SMILES:
CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F |r,wU:9.8,wD:9.9,16.17,13.13,(-2.08,-2.67,;-2.7,-1.27,;-1.8,-.02,;-2.27,1.44,;-1.03,2.35,;-1.03,3.89,;.31,4.66,;-2.36,4.66,;-2.36,6.2,;-3.7,6.97,;-2.31,7.64,;-4.42,8.33,;-5.96,8.38,;-6.77,7.08,;-8.31,7.13,;-6.05,5.72,;-4.51,5.66,;-3.79,4.3,;.22,1.44,;1.68,1.92,;-.26,-.02,;.65,-1.27,;.02,-2.67,;.93,-3.92,;2.46,-3.76,;3.36,-5.01,;4.89,-4.84,;5.06,-6.38,;4.73,-3.31,;6.43,-4.68,;7.96,-4.52,;6.59,-6.22,;6.26,-3.15,;3.08,-2.35,;2.18,-1.11,;2.81,.3,;4.34,.46,;4.96,1.87,;5.24,-.79,)|
Structure:
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