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Target
Nuclear receptor ROR-gamma
Ligand
BDBM503432
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
9.10±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:
BDBM503432
Synonyms:
4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-N-(((1S*,2S*,4S*)-1,2-dihydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1-ethyl-1H-pyrazole-3-carboxamide | US11034658, Example 4
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:9.9,16.17,13.13,wD:9.8,(-1.48,-2.48,;-2.11,-1.07,;-1.21,.17,;-1.68,1.64,;-.44,2.54,;-.44,4.08,;.9,4.85,;-1.77,4.85,;-1.77,6.39,;-3.1,7.16,;-3,5.63,;-2.38,8.52,;-3.2,9.83,;-4.73,9.77,;-5.55,11.08,;-5.46,8.41,;-4.64,7.11,;-5.36,5.75,;.81,1.64,;2.28,2.11,;.33,.17,;1.24,-1.07,;.61,-2.48,;1.52,-3.73,;3.05,-3.57,;3.96,-4.81,;3.33,-6.22,;4.74,-6.84,;1.92,-5.59,;2.7,-7.63,;2.08,-9.03,;4.11,-8.25,;1.3,-7,;3.68,-2.16,;2.77,-.91,;3.4,.49,;4.93,.65,;5.56,2.06,;5.83,-.59,)|
Structure:
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