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Target
Nuclear receptor ROR-gamma
Ligand
BDBM503456
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
97.0±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:
BDBM503456
Synonyms:
5-(4-(Difluoromethyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 28
Type:
Small organic molecule
Emp. Form.:
C26H35F5N4O2
Mol. Mass.:
530.5737
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F |r,wU:9.9,13.13,wD:9.8,(4.54,-1.51,;3.01,-1.68,;2.11,-.43,;2.58,1.04,;1.34,1.94,;1.34,3.48,;0,4.25,;2.67,4.25,;2.67,5.79,;4,6.56,;4.53,5.11,;5.52,6.83,;6.05,8.27,;5.06,9.45,;5.58,10.9,;3.54,9.19,;3.01,7.74,;.09,1.04,;-1.37,1.51,;.57,-.43,;-.34,-1.68,;.29,-3.08,;-.62,-4.33,;-2.15,-4.17,;-3.05,-5.41,;-2.43,-6.82,;-1.02,-6.19,;-3.83,-7.45,;-1.8,-8.23,;-1.17,-9.63,;-.39,-7.6,;-3.21,-8.85,;-2.77,-2.76,;-1.87,-1.51,;-2.5,-.11,;-4.03,.05,;-2.02,1.36,)|
Structure:
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