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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490825
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
21.0±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:
BDBM490825
Synonyms:
4-Chloro-1-ethyl-N-(((1s,4S)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-5-(2-methoxy-4-(((R)-1,1,1-trifluoropropan-2-yl)amino)phenyl)-1H-pyrazole-3-carboxamide | US10975037, Example 24
Type:
Small organic molecule
Emp. Form.:
C24H32ClF3N4O5S
Mol. Mass.:
581.048
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC |r,wU:9.8,28.30,wD:9.9,13.16,(4.15,-1.74,;2.62,-1.9,;1.71,-.65,;2.19,.81,;.94,1.72,;.94,3.26,;-.39,4.03,;2.27,4.03,;2.27,5.57,;3.61,6.34,;3.5,4.8,;2.88,7.7,;3.7,9.01,;5.24,8.95,;5.96,7.59,;5.15,6.29,;6.06,10.26,;7.09,9.11,;5.03,11.4,;7.56,10.58,;-.31,.81,;-1.77,1.29,;.17,-.65,;-.73,-1.9,;-2.27,-1.74,;-3.17,-2.98,;-2.55,-4.39,;-3.45,-5.63,;-4.98,-5.47,;-5.61,-4.07,;-5.89,-6.72,;-6.79,-7.96,;-7.13,-5.81,;-4.64,-7.62,;-1.01,-4.55,;-.11,-3.3,;1.42,-3.46,;2.05,-4.87,)|
Structure:
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