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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490925
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
10.00±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:
BDBM490925
Synonyms:
Ethyl (1r*,4r*)-1-((4-chloro-5-(2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl)-1-ethyl-1H-pyrazole-3-carboxamido)methyl)-4-(methylsulfonyl)cyclohexane-1-carboxylate | US10975037, Example 120
Type:
Small organic molecule
Emp. Form.:
C28H37ClF5N3O4S
Mol. Mass.:
642.121
SMILES:
CCn1nc(C(=O)NC[C@]2(CC)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.9,wD:9.8,14.17,(-2.09,-3.38,;-2.72,-1.98,;-1.81,-.73,;-2.29,.73,;-1.04,1.64,;-1.04,3.18,;.29,3.95,;-2.38,3.95,;-2.38,5.49,;-3.71,6.26,;-2.33,6.93,;-2.22,8.47,;-4.53,4.95,;-6.07,5.01,;-6.79,6.37,;-5.97,7.67,;-4.43,7.62,;-8.33,6.42,;-6.99,5.65,;-9.66,7.19,;-8.33,4.88,;.2,.73,;1.67,1.21,;-.27,-.73,;.63,-1.98,;.01,-3.38,;.91,-4.63,;2.44,-4.47,;3.35,-5.71,;4.88,-5.55,;5.04,-7.09,;4.72,-4.02,;6.41,-5.39,;7.94,-5.23,;6.57,-6.92,;6.25,-3.86,;3.07,-3.06,;2.16,-1.82,;2.79,-.41,;4.32,-.25,;4.95,1.16,;5.23,-1.49,)|
Structure:
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