Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM382696
Substrate
n/a
Meas. Tech.
General RORgamma SPA binding assay
IC50
12.0±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 
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:
BDBM382696
Synonyms:
US10273259, Example 405 | US10711020, Example 405
Type:
Small organic molecule
Emp. Form.:
C29H26Cl2F7NO5S
Mol. Mass.:
704.48
SMILES:
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC2(C1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:6.9,wD:3.2,(-10.88,-1.43,;-9.7,-.43,;-9.97,1.08,;-8.25,-.95,;-7.98,-2.47,;-6.53,-2.99,;-5.35,-2,;-5.63,-.48,;-7.08,.04,;-3.91,-2.52,;-3.63,-4.03,;-2.73,-1.52,;-2.84,.01,;-1.42,.59,;-.42,-.58,;-1.23,-1.89,;-.51,-3.25,;1.03,-3.3,;1.85,-1.99,;3.38,-2.03,;4.2,-.73,;3.47,.63,;1.93,.68,;1.12,-.63,;5.73,-.77,;5.78,.77,;7.27,-.82,;8.81,-.87,;7.23,-2.36,;7.32,.72,;5.69,-2.31,;4.33,-3.04,;7,-3.12,;5.64,-3.85,;.25,.81,;1.52,1.67,;.13,2.34,;-.62,2.08,;-2.15,1.97,;-3.02,3.24,;-2.35,4.63,;-3.22,5.9,;-.81,4.74,;-.14,6.13,;.05,3.47,)|
Structure:
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