Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503477
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
0.280±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:
BDBM503477
Synonyms:
5-(2-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-4-methyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 49
Type:
Small organic molecule
Emp. Form.:
C26H35F5N4O2
Mol. Mass.:
530.5737
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F |r,wU:9.8,wD:12.12,(-1.95,-2.58,;-2.58,-1.17,;-1.68,.08,;-2.15,1.54,;-.91,2.45,;-.91,3.99,;.43,4.76,;-2.24,4.76,;-2.24,6.3,;-3.57,7.07,;-4.91,6.3,;-6.24,7.07,;-6.24,8.61,;-7.57,9.38,;-4.91,9.38,;-3.57,8.61,;.34,1.54,;1.81,2.02,;-.14,.08,;.77,-1.17,;.14,-2.58,;1.05,-3.82,;2.58,-3.66,;3.49,-4.91,;5.02,-4.75,;5.18,-6.28,;4.86,-3.22,;6.55,-4.59,;8.08,-4.42,;6.71,-6.12,;6.39,-3.05,;3.21,-2.26,;2.3,-1.01,;2.93,.4,;4.46,.56,;5.09,1.97,;5.36,-.69,)|
Structure:
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