Target
Nuclear receptor ROR-alpha
Ligand
BDBM50369033
Substrate
n/a
Meas. Tech.
ChEMBL_1736391 (CHEMBL4151927)
IC50
6200±n/a nM
Citation
 Narjes, FXue, Yvon Berg, SMalmberg, JLlinas, AOlsson, RIJirholt, JGrindebacke, HLeffler, AHossain, NLepistö, MThunberg, LLeek, HAagaard, AMcPheat, JHansson, ELBäck, ETångefjord, SChen, RXiong, YHongbin, GHansson, TG Potent and Orally Bioavailable Inverse Agonists of ROR?t Resulting from Structure-Based Design. J Med Chem 61:7796-7813 (2018) [PubMed]  Article 
Target
Name:
Nuclear receptor ROR-alpha
Synonyms:
NR1F1 | Nuclear receptor RZR-alpha | Nuclear receptor subfamily 1 group F member 1 | RAR-related orphan receptor A | RORA | RORA_HUMAN | RZRA | Retinoid-related orphan receptor-alpha
Type:
PROTEIN
Mol. Mass.:
58976.26
Organism:
Homo sapiens (Human)
Description:
ChEMBL_101591
Residue:
523
Sequence:
MESAPAAPDPAASEPGSSGADAAAGSRETPLNQESARKSEPPAPVRRQSYSSTSRGISVTKKTHTSQIEIIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQSNATYSCPRQKNCLIDRTSRNRCQHCRLQKCLAVGMSRDAVKFGRMSKKQRDSLYAEVQKHRMQQQQRDHQQQPGEAEPLTPTYNISANGLTELHDDLSNYIDGHTPEGSKADSAVSSFYLDIQPSPDQSGLDINGIKPEPICDYTPASGFFPYCSFTNGETSPTVSMAELEHLAQNISKSHLETCQYLREELQQITWQTFLQEEIENYQNKQREVMWQLCAIKITEAIQYVVEFAKRIDGFMELCQNDQIVLLKAGSLEVVFIRMCRAFDSQNNTVYFDGKYASPDVFKSLGCEDFISFVFEFGKSLCSMHLTEDEIALFSAFVLMSADRSWLQEKVKIEKLQQKIQLALQHVLQKNHREDGILTKLICKVSTLRALCGRHTEKLMAFKAIYPDIVRLHFPPLYKELFTSEFEPAMQIDG
  
Inhibitor
Name:
BDBM50369033
Synonyms:
CHEMBL4167096
Type:
Small organic molecule
Emp. Form.:
C22H18F3N3O4S2
Mol. Mass.:
509.521
SMILES:
CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(cs2)-c2cc(cnc2OCC(F)(F)F)C#N)cc1
Structure:
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