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Target
Nuclear receptor ROR-alpha
Ligand
BDBM438835
Substrate
n/a
Meas. Tech.
RORa, b, and g Binding Inhibitors
Ki
3461±n/a nM
Citation
 Lugar, III, CW; Morphy, JR; Richardson, TI; Rudyk, HC; Sapmaz, S; Stites, RE Compounds useful for inhibiting ROR-gamma-t US Patent  US10603320 Publication Date 3/31/2020 
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:
BDBM438835
Synonyms:
N-{[5-(Ethylsulfonyl)pyridin-2-yl]methyl}-1″-(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl-4′H-dispiro[cyclopropane-1,5′-thieno[2,3-c]pyran-7′,4″-piperidine]-2′-carboxamide | US10603320, Example 7
Type:
Small organic molecule
Emp. Form.:
C29H32F3N5O4S2
Mol. Mass.:
635.721
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)[C@H](C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |r|
Structure:
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