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Target
Nuclear receptor ROR-alpha
Ligand
BDBM50368995
Substrate
n/a
Meas. Tech.
ChEMBL_1736391 (CHEMBL4151927)
IC50
9400±n/a nM
Citation
 Narjes, F; Xue, Y; von Berg, S; Malmberg, J; Llinas, A; Olsson, RI; Jirholt, J; Grindebacke, H; Leffler, A; Hossain, N; Lepistö, M; Thunberg, L; Leek, H; Aagaard, A; McPheat, J; Hansson, EL; Bäck, E; Tångefjord, S; Chen, R; Xiong, Y; Hongbin, G; Hansson, 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:
BDBM50368995
Synonyms:
CHEMBL4159819
Type:
Small organic molecule
Emp. Form.:
C29H26F3N3O6S2
Mol. Mass.:
633.658
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1cc(cs1)-c1cccnc1OCc1ccc(OC(F)(F)F)cc1 |r|
Structure:
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