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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490841
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
10.00±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:
BDBM490841
Synonyms:
4-Chloro-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-5-(2-methoxy-4-(3,3,3-trifluoropropyl)phenyl)-1H-pyrazole-3-carboxamide | US10975037, Example 39
Type:
Small organic molecule
Emp. Form.:
C24H31ClF3N3O5S
Mol. Mass.:
566.033
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CCC(F)(F)F)cc1OC |r,wU:9.8,wD:9.9,13.16,(-.49,-3.4,;.58,-2.17,;-.04,-.77,;-1.55,-.45,;-1.71,1.09,;-3.04,1.86,;-3.04,3.4,;-4.38,1.09,;-5.71,1.86,;-7.04,1.09,;-7.04,2.63,;-7.04,-.45,;-8.38,-1.22,;-9.76,-.48,;-9.71,1.09,;-8.38,1.86,;-11.09,-1.25,;-12.14,-.09,;-10.04,-2.42,;-12.63,-1.58,;-.3,1.71,;.02,3.22,;.73,.57,;2.26,.73,;2.89,2.14,;4.42,2.3,;5.32,1.05,;6.85,1.21,;7.76,-.03,;9.29,.13,;10.82,.29,;9.13,1.66,;9.45,-1.41,;4.7,-.36,;3.14,-.57,;2.52,-1.97,;3.42,-3.22,)|
Structure:
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