Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM310650
Substrate
n/a
Meas. Tech.
RORgammat (full-length human) Reporter Assay A
IC50
17.0±n/a nM
Citation
 Goldberg, S; Venkatesan, H; Kinzel, O; Gege, C; Steeneck, C; Kleymann, G; Hoffmann, T Trifluoromethyl alcohols as modulators of RORγt US Patent  US10150762 Publication Date 12/11/2018 
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:
BDBM310650
Synonyms:
5-(3-(tert-Butyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)thiazole-2-carboxamide | US10150762, Example 7
Type:
Small organic molecule
Emp. Form.:
C27H32F7N3O4S
Mol. Mass.:
627.615
SMILES:
CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1cc(cc(c1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: