Reaction Details
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Nuclear receptor ROR-gamma
Ligand
BDBM503482
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
13.0±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 More Info.:
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:
BDBM503482
Synonyms:
4-Chloro-5-(4-(1,1-difluoroethyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 54
Type:
Small organic molecule
Emp. Form.:
C26H34ClF5N4O
Mol. Mass.:
549.019
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(C)(F)F |r,wU:9.8,wD:12.12,(6.37,-1.38,;4.83,-1.54,;3.93,-.3,;4.4,1.17,;3.16,2.07,;3.16,3.61,;4.49,4.38,;1.83,4.38,;1.83,5.92,;.49,6.69,;-.84,5.92,;-2.18,6.69,;-2.18,8.23,;-3.51,9,;-.84,9,;.49,8.23,;1.91,1.17,;.45,1.64,;2.39,-.3,;1.48,-1.54,;-.05,-1.38,;-.95,-2.63,;-.33,-4.04,;-1.23,-5.28,;-2.76,-5.12,;-2.92,-6.65,;-2.6,-3.59,;-4.29,-4.96,;-5.83,-4.8,;-4.46,-6.49,;-4.13,-3.43,;1.2,-4.2,;2.11,-2.95,;3.64,-3.11,;3.48,-4.64,;5.17,-3.27,;3.8,-1.58,)|
Structure:
