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Target
Nuclear receptor ROR-gamma
Ligand
BDBM503467
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
40.0±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:
BDBM503467
Synonyms:
4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)pyridin-3-yl)-N-(((1S*,2S*,4S*)-1,2-dihydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1-ethyl-1H-pyrazole-3-carboxamide | US11034658, Example 39
Type:
Small organic molecule
Emp. Form.:
C25H33ClF4N4O4
Mol. Mass.:
565.001
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,16.17,13.13,(3.79,-1.21,;2.26,-1.37,;1.36,-.13,;1.83,1.34,;.59,2.24,;.59,3.78,;-.75,4.55,;1.92,4.55,;1.92,6.09,;3.26,6.86,;3.78,5.42,;2.27,8.04,;2.79,9.49,;4.31,9.76,;4.84,11.2,;5.3,8.58,;4.77,7.13,;5.76,5.95,;-.66,1.34,;-2.12,1.81,;-.18,-.13,;-1.09,-1.37,;-2.62,-1.21,;-3.52,-2.46,;-2.9,-3.87,;-3.8,-5.11,;-3.18,-6.52,;-4.58,-7.14,;-1.77,-5.89,;-2.55,-7.92,;-1.02,-8.09,;-3.46,-9.17,;-1.37,-4.03,;-.46,-2.78,;1.07,-2.94,;1.7,-4.35,;3.23,-4.51,;.79,-5.59,)|
Structure:
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