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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490893
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
0.510±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:
BDBM490893
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 90
Type:
Small organic molecule
Emp. Form.:
C27H35ClF5N3O5S
Mol. Mass.:
644.094
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)CC(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.16,(-1.08,-3.12,;-.05,-1.98,;-.53,-.52,;-1.99,-.04,;-1.99,1.5,;-3.33,2.27,;-3.33,3.81,;-4.66,1.5,;-6,2.27,;-7.33,1.5,;-7.33,3.04,;-7.33,-.04,;-8.66,-.81,;-10.04,-.07,;-10,1.5,;-8.66,2.27,;-11.38,-.84,;-10.02,-1.62,;-12.74,-.05,;-11.38,-2.41,;-.53,1.98,;-.05,3.44,;.38,.73,;1.92,.73,;2.69,2.06,;4.23,2.06,;5,.73,;6.54,.73,;7.31,2.06,;7.31,3.6,;5.97,2.83,;5.77,1.98,;4.93,3.28,;4.09,4.57,;6.22,4.11,;3.64,2.44,;4.23,-.6,;2.66,-.65,;1.89,-1.98,;2.66,-3.32,;4.2,-3.32,;1.89,-4.65,)|
Structure:
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