Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503449
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
1.20±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:
BDBM503449
Synonyms:
4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)pyridin-3-yl)-1-ethyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 21
Type:
Small organic molecule
Emp. Form.:
C24H27ClF8N4O2
Mol. Mass.:
590.937
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F |r,wU:12.12,wD:9.8,(-1.47,-2.41,;-2.09,-1.01,;-1.19,.24,;-1.66,1.71,;-.42,2.61,;-.42,4.15,;.92,4.92,;-1.75,4.92,;-1.75,6.46,;-3.08,7.23,;-3.08,8.77,;-4.42,9.54,;-5.75,8.77,;-7.09,9.54,;-5.75,7.23,;-4.42,6.46,;.83,1.71,;2.29,2.18,;.35,.24,;1.26,-1.01,;.63,-2.41,;1.54,-3.66,;3.07,-3.5,;3.97,-4.74,;3.35,-6.15,;4.25,-7.4,;5.16,-8.64,;3.01,-8.3,;5.5,-6.49,;1.82,-6.31,;.91,-5.06,;1.19,-7.72,;.28,-6.47,;3.69,-2.09,;2.79,-.84,;3.42,.56,;4.95,.72,;5.57,2.13,;5.85,-.52,)|
Structure:
Search PDB for entries with ligand similarity: