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Target
Nuclear receptor ROR-gamma
Ligand
BDBM302191
Substrate
n/a
Meas. Tech.
ChEMBL_2025958 (CHEMBL4679771)
IC50
320±n/a nM
Citation
 Harcken, C; Csengery, J; Turner, M; Wu, L; Liang, S; Sibley, R; Brunette, S; Labadia, M; Hoyt, K; Wayne, A; Wieckowski, T; Davis, G; Panzenbeck, M; Souza, D; Kugler, S; Terenzio, D; Collin, D; Smith, D; Fryer, RM; Tseng, YC; Hehn, JP; Fletcher, K; Hughes, RO Discovery of a Series of Pyrazinone ROR? Antagonists and Identification of the Clinical Candidate BI 730357. ACS Med Chem Lett 12:143-154 (2021) [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:
BDBM302191
Synonyms:
US9598415, 103
Type:
Small organic molecule
Emp. Form.:
C25H28N8O3S2
Mol. Mass.:
552.672
SMILES:
CCS(=O)(=O)c1cnc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)s1 |r|
Structure:
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