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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490959
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
9.00±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Kummer, DA; Nishimura, RT; Woods, CR; Wolin, RL; Jones, WM; Fourie, AM; Xue, X Phenyl substituted pyrazoles as modulators of RORγt US Patent  US10975037 Publication Date 4/13/2021 
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:
BDBM490959
Synonyms:
4-Chloro-5-(2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl)-N-(((1S*,2S*,4S*)-1,2-dihydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1-methyl-1H-pyrazole-3-carboxamide | US10975037, Example 153
Type:
Small organic molecule
Emp. Form.:
C25H31ClF5N3O6S
Mol. Mass.:
632.04
SMILES:
Cn1nc(C(=O)NC[C@@]2(O)CC[C@@H](C[C@@H]2O)S(C)(=O)=O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:8.8,14.15,12.16,wD:8.7,(-2.69,-1.1,;-1.79,.15,;-2.27,1.61,;-1.02,2.52,;-1.02,4.06,;.31,4.83,;-2.35,4.83,;-2.35,6.37,;-3.69,7.14,;-2.3,7.81,;-4.41,8.5,;-5.95,8.55,;-6.76,7.25,;-6.04,5.89,;-4.5,5.83,;-3.78,4.47,;-8.3,7.3,;-8.3,8.84,;-8.3,5.76,;-9.64,8.07,;.23,1.61,;1.69,2.09,;-.25,.15,;.66,-1.1,;.03,-2.5,;.93,-3.75,;2.47,-3.59,;3.37,-4.84,;4.9,-4.67,;5.06,-6.21,;4.74,-3.14,;6.43,-4.51,;7.97,-4.35,;6.6,-6.04,;6.27,-2.98,;3.09,-2.18,;2.19,-.94,;2.81,.47,;4.35,.63,;4.97,2.04,;5.25,-.61,)|
Structure:
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