Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503430
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
29.0±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:
BDBM503430
Synonyms:
5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-sulfamoylcyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US11034658, Example 2
Type:
Small organic molecule
Emp. Form.:
C25H34F5N5O5S
Mol. Mass.:
611.625
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)NS(=O)=O)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.16,(-1.2,-3.71,;-1.82,-2.3,;-.92,-1.05,;-1.39,.41,;-.15,1.32,;-.15,2.86,;1.19,3.63,;-1.48,3.63,;-1.48,5.17,;-2.82,5.94,;-2.71,4.4,;-4.35,5.88,;-5.17,7.19,;-4.45,8.55,;-2.91,8.6,;-2.09,7.3,;-5.26,9.85,;-4.54,11.21,;-5.36,12.52,;-3,11.27,;1.1,.41,;2.56,.89,;.62,-1.05,;1.53,-2.3,;.9,-3.71,;1.81,-4.95,;3.34,-4.79,;4.24,-6.04,;5.77,-5.88,;5.93,-7.41,;5.61,-4.34,;7.31,-5.72,;8.84,-5.55,;7.47,-7.25,;7.14,-4.18,;3.96,-3.38,;3.06,-2.14,;3.68,-.73,;5.22,-.57,;5.84,.84,;6.12,-1.82,)|
Structure:
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