Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503443
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
12.0±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:
BDBM503443
Synonyms:
4-Chloro-5-(4-(difluoromethoxy)-6-((S*)-3,3,3-trifluoro-2-methylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4R)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 15
Type:
Small organic molecule
Emp. Form.:
C24H30ClF5N4O3
Mol. Mass.:
552.965
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F |r,wU:9.9,25.27,13.13,wD:9.8,(-1.95,-2.39,;-2.57,-.98,;-1.67,.26,;-2.14,1.73,;-.9,2.63,;-.9,4.17,;.44,4.94,;-2.23,4.94,;-2.23,6.48,;-3.56,7.25,;-4.09,5.81,;-2.57,8.43,;-3.1,9.88,;-4.62,10.15,;-5.14,11.59,;-5.61,8.97,;-5.08,7.52,;.35,1.73,;1.81,2.2,;-.13,.26,;.78,-.98,;.15,-2.39,;1.06,-3.64,;2.59,-3.47,;3.49,-4.72,;2.87,-6.13,;1.34,-6.29,;3.77,-7.37,;4.68,-8.62,;2.53,-8.28,;5.02,-6.47,;3.21,-2.07,;2.31,-.82,;2.94,.59,;4.47,.75,;5.09,2.15,;5.37,-.5,)|
Structure:
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