Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-alpha
Ligand
BDBM498077
Substrate
n/a
Meas. Tech.
Receptor Competition Binding Assay
Ki
>20400±n/a 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 
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:
BDBM498077
Synonyms:
N-[4- (Ethylsulfonyl)benzyl]- 5'-methyl-1-{1-[6- (trifluoromethyl)pyridin- 3-yl]ethyl}-4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide isomer 2 | US11008336, Example 42
Type:
Small organic molecule
Emp. Form.:
C30H34F3N3O4S2
Mol. Mass.:
621.734
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)cc1
Structure:
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