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Target
Nuclear receptor ROR-gamma
Ligand
BDBM19993
Substrate
n/a
Meas. Tech.
ChEMBL_1748343 (CHEMBL4182853)
EC50
333±n/a nM
Citation
 Gong, H; Weinstein, DS; Lu, Z; Duan, JJ; Stachura, S; Haque, L; Karmakar, A; Hemagiri, H; Raut, DK; Gupta, AK; Khan, J; Camac, D; Sack, JS; Pudzianowski, A; Wu, DR; Yarde, M; Shen, DR; Borowski, V; Xie, JH; Sun, H; D'Arienzo, C; Dabros, M; Galella, MA; Wang, F; Weigelt, CA; Zhao, Q; Foster, W; Somerville, JE; Salter-Cid, LM; Barrish, JC; Carter, PH; Dhar, TGM Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR?/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg Med Chem Lett 28:85-93 (2018) [PubMed]  Article 
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:
BDBM19993
Synonyms:
CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide | T 0901317 | T0901317 | TO-901317 | US10543183, Compound TO901317 | US10669296, Compound TO901317 | US10945978, Compound 1 | [3H]T0901317
Type:
Small organic molecule
Emp. Form.:
C17H12F9NO3S
Mol. Mass.:
481.333
SMILES:
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Structure:
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