Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503444
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
5.20±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:
BDBM503444
Synonyms:
5-(4-(Difluoromethoxy)-6-((S*)-3,3,3-trifluoro-2-methylpropyl)pyridin-3-yl)-1-ethyl-4-methyl-N-(((1r,4S)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 16
Type:
Small organic molecule
Emp. Form.:
C25H33F5N4O2
Mol. Mass.:
516.5471
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F |r,wU:24.26,12.12,wD:9.8,(-1.66,-2.16,;-2.29,-.75,;-1.38,.5,;-1.86,1.96,;-.61,2.87,;-.61,4.41,;.72,5.18,;-1.94,5.18,;-1.94,6.72,;-3.28,7.49,;-3.28,9.03,;-4.61,9.8,;-5.95,9.03,;-7.28,9.8,;-5.95,7.49,;-4.61,6.72,;.64,1.96,;2.1,2.44,;.16,.5,;1.06,-.75,;.44,-2.16,;1.34,-3.4,;2.88,-3.24,;3.78,-4.49,;3.15,-5.89,;1.62,-6.06,;4.06,-7.14,;4.96,-8.39,;2.81,-8.05,;5.31,-6.23,;3.5,-1.83,;2.6,-.59,;3.22,.82,;4.75,.98,;5.38,2.39,;5.66,-.27,)|
Structure:
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