Reaction Details  Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM411418
Substrate
n/a
Meas. Tech.
TR-FRET (time-resolved fluorescence resonance energy transfer) assay
IC50
0.900±n/a nM
Citation
 Schnute, ME; Flick, AC; Jones, P; Kaila, N; Mente, SR; Trzupek, JD; Vazquez, ML; Wennerstal, GM; Xing, L; Zamaratski, E; Zhang, L; Unwalla, RJ Sulfonamide-substituted indole modulators of RORC2 and methods of use thereof US Patent  US10385036 Publication Date 8/20/2019
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:
BDBM411418
Synonyms:
N-(3-((3R,4R)-1-((R)-2-cyclopentylpropanoyl)- 3-methylpiperidin-4-yl)-1-methyl-1H-indol-5- yl)-2-fiuorobenzenesulfonamide | US10385036, Example 34
Type:
Small organic molecule
Emp. Form.:
C29H36FN3O3S
Mol. Mass.:
525.678
SMILES:
C[C@H](C1CCCC1)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ccc(NS(=O)(=O)c3ccccc3F)cc12 |r|
Structure:
Search PDB for entries with ligand similarity: