Reaction Details Report a problem with these data
Target
P2X purinoceptor 3
Ligand
BDBM266759
Substrate
n/a
Meas. Tech.
Human P2X3 Receptor Inhibition Assay
pH
7.5±n/a
IC50
1.000±n/a nM
Comments
extracted
Citation
 Kai, H; Horiguchi, T; Asahi, K; Fujii, Y Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same US Patent  US9718790 Publication Date 8/1/2017 
Target
Name:
P2X purinoceptor 3
Synonyms:
ATP receptor | Glucocorticoid receptor | P2RX3 | P2RX3_HUMAN | P2X purinoceptor 3 | P2X purinoceptor 3 (P2RX3) | P2X purinoceptor 3 (P2X3) | P2X3 | P2X3 purinoceptor | Purinergic receptor | p2x3 + hsa
Type:
Protein
Mol. Mass.:
44292.02
Organism:
Homo sapiens (Human)
Description:
P56373
Residue:
397
Sequence:
MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDSQCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLGIKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKAFGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADQYKAKKFEEVNETTLKIAALTNPVYPSDQTTAEKQSTDSGAFSIGH
  
Inhibitor
Name:
BDBM266759
Synonyms:
US9718790, I-2494
Type:
Small organic molecule
Emp. Form.:
C25H28N6O3
Mol. Mass.:
460.5282
SMILES:
CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O |r,wU:25.26,wD:28.30,(7.33,.38,;6,1.15,;4.67,.38,;3.33,1.15,;3.33,2.69,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-3.33,.38,;-4.67,1.15,;-4.67,2.69,;-3.33,3.47,;-3.33,5,;-4.67,5.77,;-6,5,;-6,3.47,;-7.34,5.78,;-8.67,6.55,;-2,1.15,;-.67,.38,;3.33,-1.93,;3.33,-3.47,;4.67,-4.24,;6,-3.47,;7.33,-4.24,;7.33,-5.78,;8.67,-6.55,;6,-6.55,;4.67,-5.78,;4.67,-1.16,;6,-1.93,)|
Structure:
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