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Target
Nuclear receptor ROR-gamma
Ligand
BDBM491009
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
17.0±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:
BDBM491009
Synonyms:
1-Ethyl-4-fluoro-5-(2-methoxy-4-(((R)-1,1,1-trifluoropropan-2-yl)amino)phenyl)-N-(((1r,4R)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 203
Type:
Small organic molecule
Emp. Form.:
C24H32F4N4O4S
Mol. Mass.:
548.594
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)S(C)(=O)=O)c(F)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC |r,wU:9.8,27.29,wD:12.15,(4.2,-1.01,;2.67,-1.17,;1.76,.07,;2.24,1.54,;.99,2.44,;.99,3.98,;-.34,4.75,;2.33,4.75,;2.33,6.29,;3.66,7.06,;3.66,8.6,;4.99,9.37,;6.33,8.6,;6.33,7.06,;4.99,6.29,;7.66,9.37,;7.77,10.91,;6.38,10.23,;7.55,7.84,;-.25,1.54,;-1.72,2.01,;.22,.07,;-.68,-1.17,;-2.21,-1.01,;-3.12,-2.26,;-2.49,-3.67,;-3.4,-4.91,;-4.93,-4.75,;-5.56,-3.34,;-5.84,-6,;-6.74,-7.24,;-7.08,-5.09,;-4.59,-6.9,;-.96,-3.83,;-.06,-2.58,;1.48,-2.74,;2.1,-4.15,)|
Structure:
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