Target
Nuclear receptor ROR-gamma
Ligand
BDBM503452
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
8.90±n/a nM
Citation
 Goldberg, SMartin, CLFennema, EGWolin, RLFourie, AMXue, 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:
BDBM503452
Synonyms:
5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 24
Type:
Small organic molecule
Emp. Form.:
C25H30F8N4O3
Mol. Mass.:
586.5179
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F |r,wU:9.9,13.13,wD:9.8,(-1.75,-2.66,;-2.38,-1.25,;-1.47,-.01,;-1.95,1.46,;-.7,2.36,;-.7,3.9,;.63,4.67,;-2.03,4.67,;-2.03,6.21,;-3.37,6.98,;-3.89,5.54,;-2.38,8.16,;-2.91,9.61,;-4.42,9.88,;-4.95,11.33,;-5.41,8.7,;-4.88,7.25,;.55,1.46,;2.01,1.94,;.07,-.01,;.97,-1.25,;.35,-2.66,;1.25,-3.9,;2.78,-3.74,;3.69,-4.99,;3.06,-6.4,;3.97,-7.64,;4.87,-8.89,;2.72,-8.55,;5.21,-6.74,;1.53,-6.56,;.63,-5.31,;.91,-7.96,;0,-6.72,;3.41,-2.34,;2.51,-1.09,;3.13,.32,;4.66,.48,;5.29,1.88,;5.57,-.77,)|
Structure:
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