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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490815
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
0.190±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:
BDBM490815
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl)-1-ethyl-N-(((2RS,5SR)-5-(methylsulfonyl)tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 14 | US10975037, Example 16
Type:
Small organic molecule
Emp. Form.:
C25H31ClF5N3O5S
Mol. Mass.:
616.041
SMILES:
CCn1nc(C(=O)NC[C@@H]2CC[C@H](CO2)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:12.15,(-1.93,-2.82,;-2.56,-1.41,;-1.65,-.16,;-2.13,1.3,;-.88,2.21,;-.88,3.75,;.45,4.52,;-2.22,4.52,;-2.22,6.06,;-3.55,6.83,;-3.55,8.37,;-4.88,9.14,;-6.22,8.37,;-6.22,6.83,;-4.88,6.06,;-7.55,9.14,;-8.58,7.99,;-6.52,10.28,;-9.06,9.46,;.36,1.3,;1.83,1.78,;-.11,-.16,;.79,-1.41,;.17,-2.82,;1.07,-4.06,;2.6,-3.9,;3.51,-5.15,;5.04,-4.99,;5.2,-6.52,;4.88,-3.45,;6.57,-4.83,;8.1,-4.66,;6.73,-6.36,;6.41,-3.29,;3.23,-2.49,;2.33,-1.25,;2.95,.16,;4.48,.32,;5.11,1.73,;5.39,-.93,)|
Structure:
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