Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503470
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
35.0±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:
BDBM503470
Synonyms:
5-(6-(3,3-Difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 42
Type:
Small organic molecule
Emp. Form.:
C26H36F4N4O3
Mol. Mass.:
528.5827
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.13,(-1.16,-2.26,;-1.79,-.85,;-.88,.4,;-1.36,1.86,;-.11,2.77,;-.11,4.31,;1.22,5.08,;-1.45,5.08,;-1.45,6.62,;-2.78,7.39,;-1.4,8.06,;-3.6,6.08,;-5.14,6.13,;-5.86,7.49,;-7.4,7.55,;-5.04,8.8,;-3.51,8.75,;1.13,1.86,;2.6,2.34,;.66,.4,;1.56,-.85,;.93,-2.26,;1.84,-3.5,;3.37,-3.34,;4.28,-4.59,;3.65,-5.99,;2.24,-5.37,;5.06,-6.62,;3.02,-7.4,;3.93,-8.65,;1.49,-7.56,;4,-1.93,;3.09,-.69,;3.72,.72,;5.25,.88,;5.88,2.29,;6.15,-.37,)|
Structure:
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