Reaction Details  Report a problem with these data
Target
Nuclear receptor ROR-alpha
Ligand
BDBM50406142
Substrate
n/a
Meas. Tech.
ChEMBL_2266265
IC50
>25000±n/a nM
Citation
 Schnute, ME; Trujillo, JI; Lee, KL; Unwalla, R; Vajdos, FF; Kauppi, B; Nuhant, P; Flick, AC; Crouse, KK; Zhao, Y; Samuel, A; Lombardo, V; Taylor, AP; Brault, AL; Knafels, JD; Vazquez, ML; Berstein, G Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. ACS Med Chem Lett 14:191-198 (2023) [PubMed]
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:
BDBM50406142
Synonyms:
CHEMBL5280788
Type:
Small organic molecule
Emp. Form.:
C21H33N3O3S
Mol. Mass.:
407.57
SMILES:
[H][C@]12CN(CCN1C(=O)C(C)C)Cc1cccc(NS(=O)(=O)CCCCC2)c1C |r|
Structure:
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