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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490839
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
2.00±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:
BDBM490839
Synonyms:
4-Chloro-1-ethyl-N-(((1s,4R)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-5-(2-methoxy-4-((S*)-3,3,3-trifluoro-2-methylpropyl)phenyl)-1H-pyrazole-3-carboxamide | US10975037, Example 37
Type:
Small organic molecule
Emp. Form.:
C25H33ClF3N3O5S
Mol. Mass.:
580.06
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(C[C@H](C)C(F)(F)F)cc1OC |r,wU:9.8,28.30,wD:9.9,13.16,(4.02,-1.61,;2.49,-1.77,;1.59,-.52,;2.06,.94,;.82,1.85,;.82,3.39,;-.52,4.16,;2.15,4.16,;2.15,5.7,;3.49,6.47,;3.38,4.93,;2.76,7.83,;3.58,9.13,;5.12,9.08,;5.84,7.72,;5.02,6.41,;5.93,10.39,;6.96,9.24,;4.9,11.53,;7.44,10.71,;-.43,.94,;-1.89,1.42,;.05,-.52,;-.86,-1.77,;-2.39,-1.61,;-3.29,-2.85,;-2.67,-4.26,;-3.57,-5.51,;-5.1,-5.35,;-5.73,-3.94,;-6.01,-6.59,;-6.91,-7.84,;-7.26,-5.69,;-4.76,-7.5,;-1.14,-4.42,;-.23,-3.18,;1.3,-3.34,;1.93,-4.74,)|
Structure:
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