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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490857
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
0.690±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Kummer, DA; Nishimura, RT; Woods, CR; Wolin, RL; Jones, WM; Fourie, AM; Xue, X Phenyl substituted pyrazoles as modulators of RORγt US Patent  US10975037 Publication Date 4/13/2021 
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:
BDBM490857
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-4-((S*)-3,3,3-trifluoro-2-methylpropyl)phenyl)-1-ethyl-N-(((1r,4S)-4-sulfamoylcyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 54
Type:
Small organic molecule
Emp. Form.:
C25H32ClF5N4O4S
Mol. Mass.:
615.056
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,28.30,wD:12.15,(-.48,-3.16,;-1.1,-1.75,;-.2,-.5,;-.68,.96,;.57,1.87,;.57,3.41,;1.9,4.18,;-.76,4.18,;-.76,5.72,;-2.1,6.49,;-3.43,5.72,;-4.76,6.49,;-4.76,8.03,;-3.43,8.8,;-2.1,8.03,;-6.1,8.8,;-6.1,10.34,;-7.43,9.57,;-7.43,11.11,;-4.76,11.11,;1.82,.96,;3.28,1.44,;1.34,-.5,;2.25,-1.75,;1.62,-3.16,;2.52,-4.4,;4.06,-4.24,;4.96,-5.49,;4.33,-6.9,;2.8,-7.06,;5.24,-8.14,;6.15,-9.39,;3.99,-9.05,;6.49,-7.24,;4.68,-2.84,;3.78,-1.59,;4.4,-.18,;5.94,-.02,;6.56,1.39,;6.84,-1.27,)|
Structure:
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