Target
Nuclear receptor ROR-beta
Ligand
BDBM498076
Substrate
n/a
Meas. Tech.
Receptor Competition Binding Assay
Ki
1144±103 nM
Citation
 Clarke, CALugar, III, CWMorphy, JRRichardson, TIRudyk, HSapmaz, SStites, REVaught, GM Compounds useful for inhibiting RORγt US Patent  US11008336 Publication Date 5/18/2021 
Target
Name:
Nuclear receptor ROR-beta
Synonyms:
NR1F2 | Nuclear receptor RZR-beta | Nuclear receptor subfamily 1 group F member 2 | RORB | RORB_HUMAN | RZRB | Retinoid-related orphan receptor-beta
Type:
PROTEIN
Mol. Mass.:
53227.30
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107979
Residue:
470
Sequence:
MCENQLKTKADATAQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQNNASYSCPRQRNCLIDRTNRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLYAEVQKHQQRLQEQRQQQSGEAEALARVYSSSISNGLSNLNNETSGTYANGHVIDLPKSEGYYNVDSGQPSPDQSGLDMTGIKQIKQEPIYDLTSVPNLFTYSSFNNGQLAPGITMTEIDRIAQNIIKSHLETCQYTMEELHQLAWQTHTYEEIKAYQSKSREALWQQCAIQITHAIQYVVEFAKRITGFMELCQNDQILLLKSGCLEVVLVRMCRAFNPLNNTVLFEGKYGGMQMFKALGSDDLVNEAFDFAKNLCSLQLTEEEIALFSSAVLISPDRAWLIEPRKVQKLQEKIYFALQHVIQKNHLDDETLAKLIAKIPTITAVCNLHGEKLQVFKQSHPEIVNTLFPPLYKELFNPDCATGCK
  
Inhibitor
Name:
BDBM498076
Synonyms:
(5'S)-N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-1-[2- fluoro-4-(1,2,4- oxadiazol-3- yl)benzyl]-5'-methyl- 4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide | US11008336, Example 25
Type:
Small organic molecule
Emp. Form.:
C30H32FN5O5S2
Mol. Mass.:
625.734
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(Cc5ccc(cc5F)-c5ncon5)CC4)c3s2)nc1 |r|
Structure:
Search PDB for entries with ligand similarity: