Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-beta
Ligand
BDBM302858
Substrate
n/a
Meas. Tech.
Biological Assay
Ki
>12500±n/a nM
Citation
 Morphy, JR Compounds useful for inhibiting ROR-gamma-t US Patent  US9598431 Publication Date 3/21/2017 
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:
BDBM302858
Synonyms:
N-{[5-(Ethylsulfonyl)pyridine-2-yl]methyl}-5′-methyl-1-{1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl}-4′,5′-dihydrospiro[piperidine-4,7′thieno[2,3-C]pyran]-2′-carboxamide | US9598431, 1
Type:
Small organic molecule
Emp. Form.:
C28H32F3N5O4S2
Mol. Mass.:
623.71
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CC(C)OC4(CCN(CC4)C(C)c4cnc(nc4)C(F)(F)F)c3s2)nc1 |$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
Structure:
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