Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503448
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
34.0±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:
BDBM503448
Synonyms:
5-(4-(Difluoromethoxy)-6-((R*)-3,3,3-trifluoro-2-methylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4S)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 20
Type:
Small organic molecule
Emp. Form.:
C25H33F5N4O3
Mol. Mass.:
532.5465
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F |r,wU:9.9,13.13,wD:9.8,25.27,(-1.62,-1.83,;-2.25,-.42,;-1.34,.83,;-1.82,2.29,;-.57,3.2,;-.57,4.74,;.76,5.51,;-1.91,5.51,;-3.24,4.74,;-4.57,5.51,;-5.1,4.06,;-3.58,6.68,;-4.11,8.13,;-5.63,8.4,;-6.15,9.85,;-6.62,7.22,;-6.09,5.77,;.67,2.29,;2.14,2.77,;.2,.83,;1.1,-.42,;.48,-1.83,;1.38,-3.07,;2.91,-2.91,;3.82,-4.16,;3.19,-5.56,;1.66,-5.73,;4.1,-6.81,;5,-8.06,;5.34,-5.91,;2.85,-7.72,;3.54,-1.51,;2.63,-.26,;3.26,1.15,;4.79,1.31,;5.42,2.72,;5.7,.06,)|
Structure:
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