Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503488
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
11.0±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:
BDBM503488
Synonyms:
4-Chloro-1-ethyl-5-(4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)pyridin-3-yl)-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 60
Type:
Small organic molecule
Emp. Form.:
C24H32ClF3N4O2
Mol. Mass.:
500.985
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)C(F)(F)F)cc1OC |r,wU:9.8,wD:12.12,(4.17,-1.53,;2.63,-1.69,;1.73,-.45,;2.2,1.02,;.96,1.92,;.96,3.46,;-.37,4.23,;2.29,4.23,;2.29,5.77,;3.63,6.54,;3.63,8.08,;4.96,8.85,;6.29,8.08,;7.63,8.85,;6.29,6.54,;4.96,5.77,;-.29,1.02,;-1.75,1.49,;.19,-.45,;-.72,-1.69,;-2.25,-1.53,;-3.15,-2.78,;-2.53,-4.18,;-3.43,-5.43,;-4.96,-5.27,;-5.59,-3.86,;-5.87,-6.51,;-6.77,-7.76,;-7.11,-5.61,;-4.62,-7.42,;-.99,-4.34,;-.09,-3.1,;1.44,-3.26,;2.07,-4.67,)|
Structure:
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