Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503435
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
2.90±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:
BDBM503435
Synonyms:
N-(((1r,4r)-4-(N-carbamoylsulfamoyl)cyclohexyl)methyl)-4-chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-1H-pyrazole-3-carboxamide | US11034658, Example 7
Type:
Small organic molecule
Emp. Form.:
C25H34ClF5N6O5S
Mol. Mass.:
661.085
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)NCS(=O)(=O)NO)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:12.15,(1,-4.05,;.37,-2.64,;1.28,-1.39,;.8,.07,;2.05,.98,;2.05,2.52,;3.38,3.29,;.71,3.29,;.71,4.83,;-.62,5.6,;-1.95,4.83,;-3.29,5.6,;-3.29,7.14,;-1.95,7.91,;-.62,7.14,;-4.62,7.91,;-5.95,7.14,;-7.29,7.91,;-8.06,6.57,;-6.52,9.24,;-8.62,8.68,;-9.96,7.91,;3.29,.07,;4.76,.55,;2.82,-1.39,;3.72,-2.64,;3.1,-4.05,;4,-5.29,;5.53,-5.13,;6.44,-6.38,;7.97,-6.22,;8.13,-7.75,;7.81,-4.69,;9.5,-6.06,;11.03,-5.89,;9.66,-7.59,;9.34,-4.52,;6.16,-3.72,;5.25,-2.48,;5.88,-1.07,;7.41,-.91,;8.04,.5,;8.32,-2.16,)|
Structure:
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