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Target
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)
Ligand
BDBM256391
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
7±n/a
Temperature
277.15±n/a K
IC50
207±n/a nM
Comments
extracted
Citation
 Barr, KJ; Maclean, JK; Zhang, H; Beresis, RT; Zhang, D; Andresen, BM; Anthony, NJ; Lapointe, BT; Sciammetta, N 3-cyclohexenyl and cyclohexyl substituted indole and indazole compounds as RORgammaT inhibitors and uses thereof US Patent  US9487490 Publication Date 11/8/2016 
Target
Name:
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)
Synonyms:
Isoform 2 of Nuclear receptor ROR-gamma | NR1F3 | Nuclear receptor ROR-gamma (RORgT) | Nuclear receptor ROR-gammaT | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma (RORgT) | Retinoid-related orphan receptor-gamma (RORĪ³T)
Type:
Protein
Mol. Mass.:
55831.73
Organism:
Homo sapiens (Human)
Description:
P51449-2
Residue:
497
Sequence:
MRTQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM256391
Synonyms:
US9487490, 11A
Type:
Small organic molecule
Emp. Form.:
C21H17ClF3N3O3
Mol. Mass.:
451.826
SMILES:
OC(=O)[C@H]1CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |r,wU:6.9,wD:3.2,(-.09,6.49,;1,5.4,;2.49,5.8,;.6,3.91,;-.9,3.46,;-1.3,1.97,;-.21,.88,;1.28,1.28,;1.68,2.77,;-.61,-.6,;.3,-1.85,;-.61,-3.1,;-.21,-4.58,;-1.3,-5.67,;1.28,-4.98,;2.37,-3.89,;1.97,-2.4,;3.86,-4.29,;4.26,-5.78,;3.17,-6.87,;1.68,-6.47,;.59,-7.56,;.59,-9.1,;-.74,-8.33,;-.74,-6.79,;-2.07,-2.62,;-3.4,-3.39,;-4.74,-2.62,;-4.74,-1.08,;-3.4,-.31,;-2.07,-1.08,)|
Structure:
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