Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503458
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
10.00±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:
BDBM503458
Synonyms:
4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-methyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 30
Type:
Small organic molecule
Emp. Form.:
C24H30ClF5N4O2
Mol. Mass.:
536.966
SMILES:
C[C@H]1CC[C@H](CNC(=O)c2nn(C)c(c2Cl)-c2cnc(CC(C)(C)C(F)(F)F)cc2OC(F)F)CC1 |r,wU:1.0,wD:4.4,(8.61,9.51,;7.27,8.74,;7.27,7.2,;5.94,6.43,;4.61,7.2,;3.27,6.43,;3.27,4.89,;1.94,4.12,;.61,4.89,;1.94,2.58,;3.19,1.67,;2.71,.21,;3.62,-1.04,;1.17,.21,;.69,1.67,;-.77,2.15,;.26,-1.04,;-1.27,-.88,;-2.17,-2.13,;-1.55,-3.53,;-2.45,-4.78,;-3.98,-4.62,;-4.14,-6.15,;-3.82,-3.09,;-5.51,-4.46,;-7.05,-4.3,;-5.67,-5.99,;-5.35,-2.92,;-.01,-3.69,;.89,-2.45,;2.42,-2.61,;3.05,-4.02,;4.58,-4.18,;2.14,-5.26,;4.61,8.74,;5.94,9.51,)|
Structure:
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