Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503466
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
15.0±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:
BDBM503466
Synonyms:
4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-(difluoromethoxy)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 38
Type:
Small organic molecule
Emp. Form.:
C25H33ClF4N4O3
Mol. Mass.:
549.001
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F |r,wU:9.9,13.13,wD:9.8,(4.09,-1.01,;2.55,-1.17,;1.65,.08,;2.12,1.54,;.88,2.45,;.88,3.99,;-.46,4.76,;2.21,4.76,;2.21,6.3,;3.55,7.07,;4.07,5.62,;5.06,7.33,;5.59,8.78,;4.6,9.96,;5.13,11.41,;3.08,9.69,;2.56,8.25,;-.37,1.54,;-1.83,2.02,;.11,.08,;-.8,-1.17,;-2.33,-1.01,;-3.23,-2.25,;-2.61,-3.66,;-3.51,-4.91,;-2.89,-6.31,;-4.29,-6.94,;-1.48,-5.69,;-2.26,-7.72,;-.73,-7.88,;-3.16,-8.97,;-1.08,-3.82,;-.17,-2.58,;1.36,-2.74,;1.99,-4.14,;3.52,-4.3,;1.08,-5.39,)|
Structure:
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