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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50544851
Substrate
n/a
Meas. Tech.
ChEMBL_1993914 (CHEMBL4627809)
IC50
128±n/a nM
Citation
 Jiang, X; Dulubova, I; Reisman, SA; Hotema, M; Lee, CI; Liu, L; McCauley, L; Trevino, I; Ferguson, DA; Eken, Y; Wilson, AK; Wigley, WC; Visnick, M A novel series of cysteine-dependent, allosteric inverse agonists of the nuclear receptor ROR?t. Bioorg Med Chem Lett 30:0 (2020) [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:
Human
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM50544851
Synonyms:
CHEMBL4647611 | US11292781, Compound T29
Type:
Small organic molecule
Emp. Form.:
C25H21N5O
Mol. Mass.:
407.4671
SMILES:
[H][C@]12CCc3c(nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1)-c1ccncc1 |r,t:14|
Structure:
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