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Target
Nuclear receptor ROR-gamma
Ligand
BDBM490818
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
1300±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:
BDBM490818
Synonyms:
4-Chloro-1-ethyl-5-(2-methoxy-4-(((R)-1,1,1-trifluoropropan-2-yl)amino)phenyl)-N-(((2R*,5R*)-5-(methylsulfonyl)tetrahydro-2H-pyran-2-yl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 17
Type:
Small organic molecule
Emp. Form.:
C23H30ClF3N4O5S
Mol. Mass.:
567.021
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](CO2)S(C)(=O)=O)c(Cl)c1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC |r,wU:27.29,wD:9.8,12.15,(4.31,-1.54,;2.78,-1.7,;1.88,-.45,;2.35,1.01,;1.11,1.92,;1.11,3.46,;-.23,4.23,;2.44,4.23,;2.44,5.77,;3.78,6.54,;5.11,5.77,;6.44,6.54,;6.44,8.08,;5.11,8.85,;3.78,8.08,;7.78,8.85,;8.81,7.7,;6.75,9.99,;9.28,9.17,;-.14,1.01,;-1.6,1.49,;.34,-.45,;-.57,-1.7,;-2.1,-1.54,;-3,-2.78,;-2.38,-4.19,;-3.28,-5.44,;-4.81,-5.27,;-5.44,-3.87,;-5.72,-6.52,;-6.62,-7.77,;-6.97,-5.61,;-4.47,-7.43,;-.85,-4.35,;.06,-3.1,;1.59,-3.27,;2.22,-4.67,)|
Structure:
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