Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-beta
Ligand
BDBM498079
Substrate
n/a
Meas. Tech.
Receptor Competition Binding Assay
Ki
>12500±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-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:
BDBM498079
Synonyms:
(5'S)-N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-5'- methyl-1-{1-[2- (trifluoromethyl)-1,3- thiazol-5-yl]ethyl}- 4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide isomer 2 | US11008336, Example 55
Type:
Small organic molecule
Emp. Form.:
C27H31F3N4O4S3
Mol. Mass.:
628.75
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3C[C@H](C)OC4(CCN(CC4)C(C)c4cnc(s4)C(F)(F)F)c3s2)nc1 |r|
Structure:
Search PDB for entries with ligand similarity: