Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor ROR-beta
LigandBDBM498078
Substrate/Competitorn/a
Meas. Tech.Receptor Competition Binding Assay
Ki 4840±n/a 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
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-beta
Name:Nuclear receptor ROR-beta
Synonyms:NR1F2 | Nuclear receptor RZR-beta | Nuclear receptor subfamily 1 group F member 2 | RORB | RZRB | Retinoid-related orphan receptor-beta
Type:PROTEIN
Mol. Mass.:53227.30
Organism:Homo sapiens (Human)
Description:ChEMBL_107979
Residue:470
Sequence:
MCENQLKTKADATAQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQNNASYSCPRQ
RNCLIDRTNRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLYAEVQKHQQRLQEQRQ
QQSGEAEALARVYSSSISNGLSNLNNETSGTYANGHVIDLPKSEGYYNVDSGQPSPDQSG
LDMTGIKQIKQEPIYDLTSVPNLFTYSSFNNGQLAPGITMTEIDRIAQNIIKSHLETCQY
TMEELHQLAWQTHTYEEIKAYQSKSREALWQQCAIQITHAIQYVVEFAKRITGFMELCQN
DQILLLKSGCLEVVLVRMCRAFNPLNNTVLFEGKYGGMQMFKALGSDDLVNEAFDFAKNL
CSLQLTEEEIALFSSAVLISPDRAWLIEPRKVQKLQEKIYFALQHVIQKNHLDDETLAKL
IAKIPTITAVCNLHGEKLQVFKQSHPEIVNTLFPPLYKELFNPDCATGCK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM498078
NameBDBM498078
Synonyms:N-{[5- (Ethylsulfonyl)pyridin- 2-yl]methyl}-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 46
TypeSmall organic molecule
Emp. Form.C29H33F3N4O4S2
Mol. Mass.622.722
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4ccc(nc4)C(F)(F)F)c3s2)nc1
Structure
n/a