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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50524249
Substrate
n/a
Meas. Tech.
ChEMBL_1892509 (CHEMBL4394430)
IC50
1490±n/a nM
Citation
 Zhang, Y; Wu, X; Xue, X; Li, C; Wang, J; Wang, R; Zhang, C; Wang, C; Shi, Y; Zou, L; Li, Q; Huang, Z; Hao, X; Loomes, K; Wu, D; Chen, HW; Xu, J; Xu, Y Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR? Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer. J Med Chem 62:4716-4730 (2019) [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:
BDBM50524249
Synonyms:
CHEMBL4459497
Type:
Small organic molecule
Emp. Form.:
C22H15F7N2O5S
Mol. Mass.:
552.419
SMILES:
OC(c1ccc(c(F)c1)-c1ccc(NS(=O)(=O)Cc2cccc(c2)[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Structure:
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