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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490810
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
1.60±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:
BDBM490810
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl)-1-ethyl-N-(((2R*,5S*)-5-(methylsulfonyl)piperidin-2-yl)methyl)-1H-pyrazole-3-carboxamide hydrobromide | US10975037, Example 9
Type:
Small organic molecule
Emp. Form.:
C25H31BrClF5N4O4S
Mol. Mass.:
693.952
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CN2Br)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:12.16,wD:9.8,(-2.14,-2.89,;-2.77,-1.49,;-1.86,-.24,;-2.34,1.22,;-1.09,2.13,;-1.09,3.67,;.24,4.44,;-2.43,4.44,;-2.43,5.98,;-3.76,6.75,;-3.76,8.29,;-5.09,9.06,;-6.43,8.29,;-6.43,6.75,;-5.09,5.98,;-5.09,4.44,;-7.76,9.06,;-8.79,7.92,;-6.73,10.2,;-9.27,9.38,;.15,1.22,;1.62,1.7,;-.32,-.24,;.58,-1.49,;-.04,-2.89,;.86,-4.14,;2.39,-3.98,;3.3,-5.22,;4.83,-5.06,;4.99,-6.59,;4.67,-3.53,;6.36,-4.9,;7.89,-4.74,;6.52,-6.43,;6.2,-3.37,;3.02,-2.57,;2.11,-1.33,;2.74,.08,;4.27,.24,;4.9,1.65,;5.18,-1,)|
Structure:
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