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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490822
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
0.370±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:
BDBM490822
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl)-1-ethyl-N-(((1R*,2S*,4S*)-2-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-H-pyrazole-3-carboxamide | US10975037, Example 21
Type:
Small organic molecule
Emp. Form.:
C26H33ClF5N3O5S
Mol. Mass.:
630.067
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](C[C@@H]2O)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:14.15,12.16,wD:9.8,(-1.95,-2.95,;-2.57,-1.54,;-1.67,-.3,;-2.14,1.17,;-.9,2.07,;-.9,3.61,;.44,4.38,;-2.23,4.38,;-2.23,5.92,;-3.57,6.69,;-3.57,8.23,;-4.9,9,;-6.23,8.23,;-6.23,6.69,;-4.9,5.92,;-4.9,4.38,;-7.57,9,;-8.6,7.86,;-6.54,10.15,;-9.07,9.32,;.35,1.17,;1.81,1.65,;-.13,-.3,;.78,-1.54,;.15,-2.95,;1.06,-4.19,;2.59,-4.03,;3.49,-5.28,;5.02,-5.12,;5.18,-6.65,;4.86,-3.59,;6.56,-4.96,;8.09,-4.8,;6.72,-6.49,;6.39,-3.43,;3.21,-2.63,;2.31,-1.38,;2.93,.03,;4.47,.19,;5.09,1.59,;5.37,-1.06,)|
Structure:
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