Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503478
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
1.30±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Wolin, RL; Fourie, AM; Xue, X Pyridinyl pyrazoles as modulators of RORγT US Patent  US11034658 Publication Date 6/15/2021 
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:
BDBM503478
Synonyms:
5-(2-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 50
Type:
Small organic molecule
Emp. Form.:
C26H35F5N4O3
Mol. Mass.:
546.5731
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F |r,wU:9.8,wD:9.9,13.13,(-1.35,-2.04,;-1.97,-.63,;-1.07,.61,;-1.55,2.08,;-.3,2.98,;-.3,4.52,;1.03,5.29,;-1.63,5.29,;-1.63,6.83,;-2.97,7.6,;-1.58,8.28,;-3.78,6.3,;-5.32,6.35,;-6.05,7.71,;-7.58,7.76,;-5.23,9.02,;-3.69,8.96,;.95,2.08,;2.41,2.55,;.47,.61,;1.38,-.63,;.75,-2.04,;1.65,-3.29,;3.19,-3.13,;4.09,-4.37,;3.46,-5.78,;4.87,-6.4,;2.06,-5.15,;2.84,-7.19,;2.21,-8.59,;4.25,-7.81,;1.43,-6.56,;3.81,-1.72,;2.91,-.47,;3.53,.93,;5.07,1.09,;5.69,2.5,;5.97,-.15,)|
Structure:
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