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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490926
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
43.0±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:
BDBM490926
Synonyms:
(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-carboxylic Acid | US10975037, Example 121
Type:
Small organic molecule
Emp. Form.:
C26H33ClF5N3O4S
Mol. Mass.:
614.068
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wD:9.8,12.15,(-1.94,-2.58,;-2.56,-1.17,;-1.66,.07,;-2.13,1.54,;-.89,2.44,;-.89,3.98,;.45,4.75,;-2.22,4.75,;-2.22,6.29,;-3.55,7.06,;-3.55,8.6,;-4.89,9.37,;-6.22,8.6,;-6.22,7.06,;-4.89,6.29,;-7.56,9.37,;-6.22,10.14,;-8.89,8.6,;-7.56,10.91,;.36,1.54,;1.82,2.01,;-.12,.07,;.79,-1.17,;.16,-2.58,;1.07,-3.83,;2.6,-3.67,;3.5,-4.91,;5.04,-4.75,;5.2,-6.28,;4.87,-3.22,;6.57,-4.59,;8.1,-4.43,;6.73,-6.12,;6.41,-3.06,;3.22,-2.26,;2.32,-1.01,;2.95,.39,;4.48,.55,;5.1,1.96,;5.38,-.69,)|
Structure:
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