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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50584284
Substrate
n/a
Meas. Tech.
ChEMBL_2159316 (CHEMBL5044066)
IC50
83±n/a nM
Citation
 Chen, JA; Ma, H; Liu, Z; Tian, J; Lu, S; Fang, W; Ze, S; Lu, W; Xie, Q; Huang, J; Wang, Y Discovery of Orally Available Retinoic Acid Receptor-Related Orphan Receptor ?-t/Dihydroorotate Dehydrogenase Dual Inhibitors for the Treatment of Refractory Inflammatory Bowel Disease. J Med Chem 65:592-615 (2022) [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:
BDBM50584284
Synonyms:
CHEMBL5086318
Type:
Small organic molecule
Emp. Form.:
C24H26ClF6N3O3S
Mol. Mass.:
585.99
SMILES:
Cc1c(Nc2nc3[C@H](O)CCCc3s2)cc(Cl)cc1OC1CCN(CC1)C(=O)CC(C(F)(F)F)C(F)(F)F |r|
Structure:
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