Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503433
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
8.70±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:
BDBM503433
Synonyms:
N-(((1r,4r)-4-(N-acetylsulfamoyl)cyclohexyl)methyl)-4-chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-1H-pyrazole-3-carboxamide | US11034658, Example 5
Type:
Small organic molecule
Emp. Form.:
C26H32ClF5N4O3
Mol. Mass.:
579.002
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)C(C)=O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:12.15,(.07,-1.73,;-.55,-.32,;.35,.93,;-.12,2.39,;1.12,3.3,;1.12,4.84,;2.45,5.61,;-.21,5.61,;-.21,7.15,;-1.55,7.92,;-2.88,7.15,;-4.21,7.92,;-4.21,9.46,;-2.88,10.23,;-1.55,9.46,;-5.55,10.23,;-5.55,11.77,;-6.88,9.46,;2.37,2.39,;3.83,2.87,;1.89,.93,;2.8,-.32,;2.17,-1.73,;3.08,-2.97,;4.61,-2.81,;5.51,-4.06,;7.04,-3.9,;7.2,-5.43,;6.88,-2.36,;8.58,-3.73,;10.11,-3.57,;8.74,-5.27,;8.41,-2.2,;5.23,-1.4,;4.33,-.16,;4.95,1.25,;6.49,1.41,;7.11,2.82,;7.39,.16,)|
Structure:
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