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Target
Nuclear receptor ROR-gamma
Ligand
BDBM310652
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
0.070±n/a nM
Citation
 Goldberg, S; Venkatesan, H; Kinzel, O; Gege, C; Steeneck, C; Kleymann, G; Hoffmann, T Trifluoromethyl alcohols as modulators of RORγt US Patent  US10150762 Publication Date 12/11/2018 
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:
BDBM310652
Synonyms:
((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,5S)-3,5-dihydroxypiperidine-1-carbonyl)-5-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-(trifluoromethoxy)phenyl)thiazol-4-yl)methanone | US10150762, Example 9
Type:
Small organic molecule
Emp. Form.:
C25H22F11N3O6S
Mol. Mass.:
701.506
SMILES:
C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1 |r|
Structure:
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