Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP2X purinoceptor 3
LigandBDBM320045
Substrate/Competitorn/a
Meas. Tech.Intracellular Calcium Measurement to Assess Antagonist Activity at Human P2X3 and Human P2X2/3 Receptors
IC50 4.00±n/a nM
Citation Davenport AJBräuer NFischer OMRotgeri ARottmann ANeagoe INagel JGodinho-Coelho AKlar J 1,3-thiazol-2-yl substituted benzamides US Patent  US10183937 Publication Date 1/22/2019
More Info.:Get all data from this article,  Assay Method
 
P2X purinoceptor 3
Name:P2X purinoceptor 3
Synonyms:ATP receptor | P2RX3 | P2X purinoceptor 3 (P2RX3) | P2X purinoceptor 3 (P2X3) | P2X3 | P2X3 purinoceptor | Purinergic receptor
Type:Protein
Mol. Mass.:44292.02
Organism:Homo sapiens (Human)
Description:P56373
Residue:397
Sequence:
MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSV
VTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDS
QCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIR
FPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLG
IKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKA
FGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADQYKAKKFEE
VNETTLKIAALTNPVYPSDQTTAEKQSTDSGAFSIGH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM320045
n/a
NameBDBM320045
Synonyms:3-[(3-fluoro-1- methylpiperidin-4- yl)oxy]-5-(5- methyl-1,3- thiazol-2-yl)-N- {(1R)-1-[2- (trifluoromethyl) pyrimidin-5- yl]ethyl} benzamide, as a single unknown isomer | US10174016, Example 212 | US10202369, Example 212
TypeSmall organic molecule
Emp. Form.C24H25F4N5O2S
Mol. Mass.523.546
SMILESC[C@@H](NC(=O)c1cc(OC2CCN(C)CC2F)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: