Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503441
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
2.20±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:
BDBM503441
Synonyms:
5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-4-methyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 13
Type:
Small organic molecule
Emp. Form.:
C26H35F5N4O2
Mol. Mass.:
530.5737
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:12.12,wD:9.8,(-2.01,-2.57,;-2.63,-1.16,;-1.73,.09,;-2.2,1.55,;-.96,2.46,;-.96,4,;.38,4.77,;-2.29,4.77,;-2.29,6.31,;-3.62,7.08,;-3.62,8.62,;-4.96,9.39,;-6.29,8.62,;-7.63,9.39,;-6.29,7.08,;-4.96,6.31,;.29,1.55,;1.75,2.03,;-.19,.09,;.72,-1.16,;.09,-2.57,;1,-3.81,;2.53,-3.65,;3.43,-4.9,;4.96,-4.73,;5.13,-6.27,;4.8,-3.2,;6.5,-4.57,;8.03,-4.41,;6.66,-6.11,;6.34,-3.04,;3.15,-2.24,;2.25,-1,;2.88,.41,;4.41,.57,;5.03,1.98,;5.31,-.68,)|
Structure:
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