Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503464
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
20.0±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:
BDBM503464
Synonyms:
4-Chloro-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-5-(4-methoxy-6-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyridin-3-yl)-1H-pyrazole-3-carboxamide | US11034658, Example 36
Type:
Small organic molecule
Emp. Form.:
C26H36ClF3N4O3
Mol. Mass.:
545.037
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CCC(C)(C)C(F)(F)F)cc1OC |r,wU:9.9,13.13,wD:9.8,(3.86,-1.19,;2.33,-1.35,;1.42,-.1,;1.9,1.36,;.65,2.27,;.65,3.81,;-.68,4.58,;1.99,4.58,;1.99,6.12,;3.32,6.89,;3.85,5.44,;4.84,7.15,;5.36,8.6,;4.37,9.78,;4.9,11.23,;2.86,9.51,;2.33,8.07,;-.59,1.36,;-2.06,1.84,;-.12,-.1,;-1.02,-1.35,;-2.55,-1.19,;-3.46,-2.43,;-2.83,-3.84,;-3.74,-5.09,;-3.11,-6.49,;-1.58,-6.66,;-1.74,-8.19,;-1.42,-5.12,;-.05,-6.82,;1.48,-6.98,;-.21,-8.35,;.11,-5.28,;-1.3,-4,;-.39,-2.76,;1.14,-2.92,;1.76,-4.32,)|
Structure:
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