Target
Nuclear receptor ROR-gamma
Ligand
BDBM503493
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
12.0±n/a nM
Citation
 Goldberg, SMartin, CLFennema, EGWolin, RLFourie, AMXue, 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:
BDBM503493
Synonyms:
US11034658, Example 65
Type:
Small organic molecule
Emp. Form.:
C23H30ClF3N4O3
Mol. Mass.:
502.958
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(O[C@H](C)C(F)(F)F)cc1OC |r,wU:9.8,24.26,wD:12.12,(4.15,-1.02,;2.62,-1.18,;1.71,.07,;2.19,1.53,;.94,2.44,;.94,3.98,;-.39,4.75,;2.28,4.75,;2.28,6.29,;3.61,7.06,;3.61,8.6,;4.94,9.37,;6.28,8.6,;7.61,9.37,;6.28,7.06,;4.94,6.29,;-.3,1.53,;-1.77,2.01,;.17,.07,;-.73,-1.18,;-2.26,-1.02,;-3.17,-2.26,;-2.54,-3.67,;-3.45,-4.92,;-4.98,-4.75,;-5.61,-3.35,;-5.88,-6,;-6.79,-7.25,;-7.13,-5.1,;-4.64,-6.91,;-1.01,-3.83,;-.11,-2.58,;1.43,-2.75,;2.05,-4.15,)|
Structure:
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