Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-alpha
Ligand
BDBM438836
Substrate
n/a
Meas. Tech.
RORa, b, and g Binding Inhibitors
Ki
>20390±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:
BDBM438836
Synonyms:
1'-[1-(4- Cyanophenyl)ethyl]- 5,5- spirocyclopropane-N- [(4- ethylsulfonylphenyl) methyl]spiro[4H- thieno[2,3-c]pyran- 7,4'-piperidine]-2- carboxamide isomer 1 | US10603320, Example 8
Type:
Small organic molecule
Emp. Form.:
C32H35N3O4S2
Mol. Mass.:
589.768
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC4(CC4)OC4(CCN(CC4)C(C)c4ccc(cc4)C#N)c3s2)cc1
Structure:
Search PDB for entries with ligand similarity: