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Target
Nuclear receptor ROR-gamma
Ligand
BDBM503434
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
1.90±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:
BDBM503434
Synonyms:
4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1r,4r)-4-(N-(methylcarbamoyl)sulfamoyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 6
Type:
Small organic molecule
Emp. Form.:
C26H34ClF5N6O5S
Mol. Mass.:
673.095
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)S(=O)(=O)NC(=O)NC)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:12.15,(-1.95,-2.6,;-2.57,-1.19,;-1.67,.05,;-2.14,1.52,;-.9,2.42,;-.9,3.96,;.44,4.73,;-2.23,4.73,;-2.23,6.27,;-3.57,7.04,;-4.9,6.27,;-6.23,7.04,;-6.23,8.58,;-4.9,9.35,;-3.57,8.58,;-7.57,9.35,;-8.9,8.58,;-7.57,10.89,;-7.57,7.81,;-8.9,7.04,;-8.9,5.5,;-10.23,7.81,;-11.57,7.04,;.35,1.52,;1.81,1.99,;-.13,.05,;.78,-1.19,;.15,-2.6,;1.06,-3.85,;2.59,-3.69,;3.49,-4.93,;5.02,-4.77,;5.19,-6.3,;4.86,-3.24,;6.56,-4.61,;8.09,-4.45,;6.72,-6.14,;6.4,-3.08,;3.21,-2.28,;2.31,-1.03,;2.94,.37,;4.47,.53,;5.09,1.94,;5.37,-.71,)|
Structure:
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