Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50577440
Substrate
n/a
Meas. Tech.
ChEMBL_2130185 (CHEMBL4839614)
EC50
3.0±n/a nM
Citation
 Aicher, TD; Van Huis, CA; Hurd, AR; Skalitzky, DJ; Taylor, CB; Beleh, OM; Glick, G; Toogood, PL; Yang, B; Zheng, T; Huo, C; Gao, J; Qiao, C; Tian, X; Zhang, J; Demock, K; Hao, LY; Lesch, CA; Morgan, RW; Moisan, J; Wang, Y; Scatina, J; Paulos, CM; Zou, W; Carter, LL; Hu, X Discovery of LYC-55716: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor-? (ROR?) Agonist for Use in Treating Cancer. J Med Chem 64:13410-13428 (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:
BDBM50577440
Synonyms:
CHEMBL4870074
Type:
Small organic molecule
Emp. Form.:
C25H20F5NO5S
Mol. Mass.:
541.487
SMILES:
C[C@H](C[C@H]1CN(c2cc(ccc2O1)-c1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O |r|
Structure:
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