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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490840
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
3.30±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:
BDBM490840
Synonyms:
4-Chloro-1-ethyl-5-(2-methoxy-4-(3,3,3-trifluoropropyl)phenyl)-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 38
Type:
Small organic molecule
Emp. Form.:
C24H31ClF3N3O4S
Mol. Mass.:
550.034
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1OC |r,wU:9.8,wD:12.15,(-.52,-3.4,;.56,-2.17,;-.06,-.77,;-1.57,-.45,;-1.73,1.09,;-3.06,1.86,;-3.06,3.4,;-4.4,1.09,;-5.73,1.86,;-7.07,1.09,;-7.07,-.45,;-8.4,-1.22,;-9.78,-.48,;-9.73,1.09,;-8.4,1.86,;-11.11,-1.25,;-12.16,-.09,;-10.06,-2.42,;-12.65,-1.58,;-.32,1.71,;-0,3.22,;.71,.57,;2.24,.73,;2.86,2.14,;4.4,2.3,;5.3,1.05,;6.83,1.21,;7.74,-.03,;7.11,-1.44,;6.48,-2.85,;8.52,-2.07,;5.7,-.81,;4.67,-.36,;3.12,-.57,;2.49,-1.97,;3.4,-3.22,)|
Structure:
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