Reaction Details Report a problem with these data
Target
Isoform 2 of Nuclear receptor ROR-gamma (RORgT)
Ligand
BDBM256385
Substrate
n/a
Meas. Tech.
TR-FRET Assay
pH
7±n/a
Temperature
277.15±n/a K
IC50
16±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:
BDBM256385
Synonyms:
US9487490, 8A
Type:
Small organic molecule
Emp. Form.:
C22H17ClF4N2O3
Mol. Mass.:
468.829
SMILES:
OC(=O)[C@H]1CC[C@@H](CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 |r,wU:6.9,wD:3.2,(-2.81,9.19,;-1.72,8.1,;-.23,8.5,;-2.12,6.61,;-3.62,6.16,;-4.02,4.67,;-2.93,3.59,;-1.44,3.98,;-1.04,5.47,;-3.33,2.1,;-2.42,.85,;-3.33,-.39,;-2.93,-1.88,;-4.02,-2.97,;-1.44,-2.28,;-.35,-1.19,;-.75,.3,;1.13,-1.59,;1.53,-3.08,;.44,-4.17,;-1.04,-3.77,;-2.13,-4.86,;-3.67,-4.86,;-3.22,-5.95,;-1.74,-6.34,;-4.79,.08,;-6.13,-.69,;-7.46,.08,;-7.46,1.62,;-6.13,2.39,;-6.13,3.93,;-4.79,1.62,)|
Structure:
Search PDB for entries with ligand similarity: