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Target
Nuclear receptor ROR-gamma
Ligand
BDBM503471
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
66.0±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:
BDBM503471
Synonyms:
5-(6-(3,3-Difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)pyridin-3-yl)-N-(41S*,2S*,4S*)-1,2-dihydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1-ethyl-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 43
Type:
Small organic molecule
Emp. Form.:
C26H36F4N4O4
Mol. Mass.:
544.5821
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F |r,wU:9.9,16.17,13.13,wD:9.8,(-1.23,-2.4,;-1.85,-1,;-.95,.25,;-1.42,1.71,;-.18,2.62,;-.18,4.16,;1.16,4.93,;-1.51,4.93,;-1.51,6.47,;-2.84,7.24,;-1.46,7.91,;-3.57,8.6,;-5.11,8.65,;-5.92,7.35,;-7.46,7.4,;-5.2,5.99,;-3.66,5.93,;-2.94,4.57,;1.07,1.71,;2.53,2.19,;.59,.25,;1.5,-1,;.87,-2.4,;1.78,-3.65,;3.31,-3.49,;4.21,-4.74,;3.59,-6.14,;2.18,-5.52,;4.99,-6.77,;2.96,-7.55,;3.87,-8.79,;1.43,-7.71,;3.94,-2.08,;3.03,-.84,;3.66,.57,;5.19,.73,;5.81,2.14,;6.09,-.51,)|
Structure:
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