Reaction Details Report a problem with these data
Target
P2X purinoceptor 3
Ligand
BDBM271518
Substrate
n/a
Meas. Tech.
Rat P2X3 Binding Assay in Rat Serum Albumin (HSA)
IC50
11.0±n/a nM
Citation
 Kai, H Aminotriazine derivative and pharmaceutical composition comprising the same US Patent  US10065941 Publication Date 9/4/2018 
Target
Name:
P2X purinoceptor 3
Synonyms:
ATP receptor | P2RX3_RAT | P2X purinoceptor 3 | P2X3 | P2rx3 | Purinergic receptor | ratp2x3 | ratp2x3 + rsa
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44397.63
Organism:
RAT
Description:
Purinergic, P2X3 0 RAT::P49654
Residue:
397
Sequence:
MNCISDFFTYETTKSVVVKSWTIGIINRAVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGFGRYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPENEEKYRCVSDSQCGPERFPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVEMPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTDKDIKRCRFHPEKAPFCPILRVGDVVKFAGQDFAKLARTGGVLGIKIGWVCDLDKAWDQCIPKYSFTRLDGVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKAFGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADHYKARKFEEVTETTLKGTASTNPVFASDQATVEKQSTDSGAYSIGH
  
Inhibitor
Name:
BDBM271518
Synonyms:
US10065941, Compound I-019 | US9732060, Compound I-019
Type:
Small organic molecule
Emp. Form.:
C26H21ClFN5O5
Mol. Mass.:
537.927
SMILES:
OC(=O)[C@H]1C[C@@H](C1)n1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O |r,wU:3.2,wD:5.7,(8.28,1.86,;6.94,2.63,;6.94,4.17,;5.61,1.86,;5.21,.37,;3.72,.77,;4.12,2.26,;2.39,,;1.06,.77,;1.06,2.31,;-.28,,;-.28,-1.54,;-1.61,-2.31,;-2.94,-1.54,;-2.94,,;-4.28,.77,;-5.61,,;-6.94,.77,;-6.94,2.31,;-8.28,3.08,;-8.28,4.62,;-6.94,5.39,;-6.94,6.93,;-5.61,4.62,;-5.61,3.08,;-5.61,-1.54,;-4.28,-2.31,;1.06,-2.31,;1.06,-3.85,;2.39,-4.62,;2.39,-6.16,;3.72,-6.93,;5.06,-6.16,;6.39,-6.93,;5.06,-4.62,;3.72,-3.85,;2.39,-1.54,;3.72,-2.31,)|
Structure:
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