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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490876
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
0.630±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:
BDBM490876
Synonyms:
4-Chloro-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-5-(4-isobutyl-2-methoxyphenyl)-1H-pyrazole-3-carboxamide | US10975037, Example 73
Type:
Small organic molecule
Emp. Form.:
C25H36ClN3O5S
Mol. Mass.:
526.088
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)C)cc1OC |r,wU:9.8,wD:9.9,13.16,(.6,-3.3,;1.51,-2.06,;.88,-.65,;-.63,-.33,;-.79,1.2,;-2.12,1.97,;-2.12,3.51,;-3.45,1.2,;-4.79,1.97,;-6.12,1.2,;-6.12,2.74,;-6.12,-.34,;-7.45,-1.11,;-8.84,-.37,;-8.79,1.2,;-7.45,1.97,;-10.17,-1.14,;-8.81,-1.92,;-11.53,-.35,;-10.17,-2.7,;.62,1.83,;.94,3.33,;1.65,.68,;3.19,.68,;3.96,2.02,;5.5,2.02,;6.27,.68,;7.81,.68,;8.58,2.02,;10.12,2.02,;7.81,3.35,;5.5,-.65,;3.93,-.7,;3.16,-2.03,;3.93,-3.37,)|
Structure:
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