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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490820
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
95.0±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:
BDBM490820
Synonyms:
N-(((1s*,4s*)-1-Amino-4-(methylsulfonyl)cyclohexyl)methyl)-4-chloro-5-(2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl)-1-ethyl-1H-pyrazole-3-carboxamide 2,2,2-trifluoroacetic acid salt | US10975037, Example 19 | US10975037, Example 20
Type:
Small organic molecule
Emp. Form.:
C26H34ClF5N4O4S
Mol. Mass.:
629.083
SMILES:
CCn1nc(C(=O)NC[C@@]2(N)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.16,(-3.04,-2.5,;-3.66,-1.09,;-2.76,.15,;-3.23,1.62,;-1.99,2.52,;-1.99,4.06,;-3.32,4.83,;-.65,4.83,;-.65,6.37,;.68,7.14,;.57,5.61,;-.04,8.5,;.77,9.81,;2.31,9.76,;3.04,8.4,;2.22,7.09,;3.13,11.06,;4.16,9.92,;2.1,12.21,;4.64,11.38,;-.74,1.62,;.72,2.09,;-1.22,.15,;-.31,-1.09,;-.94,-2.5,;-.03,-3.74,;1.5,-3.58,;2.4,-4.83,;1.78,-6.24,;3.18,-6.86,;.37,-5.61,;1.15,-7.64,;.52,-9.05,;2.56,-8.27,;-.26,-7.02,;2.13,-2.18,;1.22,-.93,;1.85,.48,;3.38,.64,;4,2.04,;4.28,-.61,)|
Structure:
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