Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503431
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
8.10±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:
BDBM503431
Synonyms:
4-Chloro-5-(4-(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 3
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-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,16.17,13.13,(-2.15,-2.96,;-2.77,-1.56,;-1.87,-.31,;-2.35,1.15,;-1.1,2.06,;-1.1,3.6,;.23,4.37,;-2.43,4.37,;-2.43,5.91,;-3.77,6.68,;-3.66,5.14,;-3.04,8.04,;-3.86,9.35,;-5.4,9.29,;-6.21,10.6,;-6.12,7.93,;-5.31,6.63,;-6.03,5.27,;.15,1.15,;1.61,1.63,;-.33,-.31,;.58,-1.56,;-.05,-2.96,;.85,-4.21,;2.39,-4.05,;3.29,-5.29,;4.82,-5.13,;4.98,-6.66,;4.66,-3.6,;6.35,-4.97,;7.89,-4.81,;6.52,-6.5,;6.19,-3.44,;3.01,-2.64,;2.11,-1.4,;2.73,.01,;4.27,.17,;4.89,1.58,;5.17,-1.07,)|
Structure:
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