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TargetNuclear receptor ROR-alpha
LigandBDBM498081
Substrate/Competitorn/a
Meas. Tech.Receptor Competition Binding Assay
Ki 698±130.4 nM
Citation Clarke, CA; Lugar, III, CW; Morphy, JR; Richardson, TI; Rudyk, H; Sapmaz, S; Stites, RE; Vaught, GM Compounds useful for inhibiting RORγt US Patent US11008336 Publication Date 5/18/2021
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-alpha
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 | RZRA | Retinoid-related orphan receptor-alpha
Type:PROTEIN
Mol. Mass.:58976.26
Organism:Homo sapiens (Human)
Description:ChEMBL_101591
Residue:523
Sequence:
MESAPAAPDPAASEPGSSGADAAAGSRETPLNQESARKSEPPAPVRRQSYSSTSRGISVT
KKTHTSQIEIIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQSNATYSCPRQKNCLIDRT
SRNRCQHCRLQKCLAVGMSRDAVKFGRMSKKQRDSLYAEVQKHRMQQQQRDHQQQPGEAE
PLTPTYNISANGLTELHDDLSNYIDGHTPEGSKADSAVSSFYLDIQPSPDQSGLDINGIK
PEPICDYTPASGFFPYCSFTNGETSPTVSMAELEHLAQNISKSHLETCQYLREELQQITW
QTFLQEEIENYQNKQREVMWQLCAIKITEAIQYVVEFAKRIDGFMELCQNDQIVLLKAGS
LEVVFIRMCRAFDSQNNTVYFDGKYASPDVFKSLGCEDFISFVFEFGKSLCSMHLTEDEI
ALFSAFVLMSADRSWLQEKVKIEKLQQKIQLALQHVLQKNHREDGILTKLICKVSTLRAL
CGRHTEKLMAFKAIYPDIVRLHFPPLYKELFTSEFEPAMQIDG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM498081
NameBDBM498081
Synonyms:(5'S)-N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1-[4- methyl-2- (trifluoromethyl)pyrim- idin-5-yl]ethyl}-4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide isomer 1 | US11008336, Example 66
TypeSmall organic molecule
Emp. Form.C30H35F3N4O4S2
Mol. Mass.636.749
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(nc4C)C(F)(F)F)c3s2)cc1 |r|
Structure
n/a