Reaction Details
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Nuclear receptor ROR-gamma
Ligand
BDBM382439
Substrate
n/a
Meas. Tech.
General RORgamma SPA binding assay
IC50
11.0±n/a nM
Citation
Duan, J; Dhar, TG; Marcoux, D; Cherney, RJ Tricyclic sulfones as RORγ modulators US Patent US10273259 Publication Date 4/30/2019 More Info.:
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
Nr1f3 | Nuclear receptor RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor
Type:
PROTEIN
Mol. Mass.:
58133.31
Organism:
Mus musculus
Description:
ChEMBL_103664
Residue:
516
Sequence:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQCNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGSGPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELGEPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSREEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVLVRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTALVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEKLQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
Inhibitor
Name:
BDBM382439
Synonyms:
US10273259, Example 150
Type:
Small organic molecule
Emp. Form.:
C31H30F7NO5S
Mol. Mass.:
661.627
SMILES:
OC(=O)C1CC2(C1)CC(C2)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)Cc1ccccc1 |w:3.2,(8.74,4.32,;7.97,2.99,;8.74,1.66,;6.43,2.99,;5.34,4.08,;4.25,2.99,;5.34,1.9,;3.16,4.08,;2.07,2.99,;3.16,1.9,;.53,2.99,;-.24,4.32,;-.24,1.66,;.39,.25,;-.76,-.78,;-2.09,-.01,;-1.77,1.49,;-2.92,2.53,;-4.38,2.05,;-4.7,.54,;-6.17,.07,;-6.49,-1.44,;-5.34,-2.47,;-3.88,-1.99,;-3.56,-.49,;-7.95,-1.92,;-7.47,-3.38,;-9.41,-2.39,;-10.88,-2.87,;-9.89,-.93,;-8.94,-3.86,;-8.43,-.45,;-7.4,.69,;-9.93,-.13,;-8.9,1.01,;-2.25,-1.54,;-3.16,-2.79,;-1.63,-2.95,;-1.01,-2.45,;-1.17,-3.98,;-2.57,-4.61,;-2.74,-6.14,;-1.49,-7.04,;-.08,-6.42,;.08,-4.89,)|
Structure:
