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Target
Nuclear receptor ROR-gamma
Ligand
BDBM503465
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
3.50±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:
BDBM503465
Synonyms:
4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)pyridin-3-yl)-1-ethyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 37
Type:
Small organic molecule
Emp. Form.:
C25H33ClF4N4O2
Mol. Mass.:
533.002
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F |r,wU:12.12,wD:9.8,(4.17,-.74,;2.64,-.9,;1.74,.34,;2.21,1.81,;.97,2.71,;.97,4.25,;-.37,5.02,;2.3,5.02,;2.3,6.56,;3.63,7.33,;4.97,6.56,;6.3,7.33,;6.3,8.87,;7.63,9.64,;4.97,9.64,;3.63,8.87,;-.28,1.81,;-1.75,2.28,;.2,.34,;-.71,-.9,;-2.24,-.74,;-3.15,-1.99,;-2.52,-3.4,;-3.43,-4.64,;-2.8,-6.05,;-4.21,-6.68,;-1.39,-5.42,;-2.17,-7.46,;-.64,-7.62,;-3.08,-8.7,;-.99,-3.56,;-.08,-2.31,;1.45,-2.47,;2.07,-3.88,;3.61,-4.04,;1.17,-5.12,)|
Structure:
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