Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-alpha
Ligand
BDBM302859
Substrate
n/a
Meas. Tech.
Biological Assay
Ki
>20400±0 nM
Citation
 Morphy, JR Compounds useful for inhibiting ROR-gamma-t US Patent  US9598431 Publication Date 3/21/2017 
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:
BDBM302859
Synonyms:
(5S′)¿N-{[5-(Ethylsulfonyl)pyridine-2-yl]methyl}-5′-methyl-1-{(1S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}-4′,5′-dihydrospiro[piperidine-4,7′thieno[2,3-C]pyran]-2′-carboxamide | US9598431, 2
Type:
Small organic molecule
Emp. Form.:
C28H32F3N5O4S2
Mol. Mass.:
623.71
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)[C@@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Structure:
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