Reaction Details Report a problem with these data
Target
P2X purinoceptor 3
Ligand
BDBM246655
Substrate
n/a
Meas. Tech.
Receptor Inhibition Assay
pH
7.5±n/a
IC50
5.00±n/a nM
Comments
extracted
Citation
 Kai, H; Tanaka, S; Hiramatsu, Y; Nozu, A; Nakamura, K Heterocyclic ring and carbocyclic derivative US Patent  US9550763 Publication Date 1/24/2017 
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:
BDBM246655
Synonyms:
US9550763, Compound I-308
Type:
Small organic molecule
Emp. Form.:
C27H25ClN6O4
Mol. Mass.:
532.978
SMILES:
Cc1ccc(Oc2ccc(cc2)\N=c2/[nH]cc(NC(=O)[C@H]3C[C@H](O)C3)c(=O)n2Cc2ccc(Cl)cc2)nn1 |r,wU:20.20,wD:22.23,(-7.61,6.93,;-7.61,5.39,;-8.95,4.62,;-8.95,3.08,;-7.61,2.31,;-7.61,.77,;-6.28,,;-6.28,-1.54,;-4.94,-2.31,;-3.61,-1.54,;-3.61,,;-4.94,.77,;-2.28,-2.31,;-.94,-1.54,;-.94,,;.39,.77,;1.72,,;3.06,.77,;4.39,,;4.39,-1.54,;5.73,.77,;6.12,2.26,;7.61,1.86,;8.95,2.63,;7.21,.37,;1.72,-1.54,;3.06,-2.31,;.39,-2.31,;.39,-3.85,;1.72,-4.62,;1.72,-6.16,;3.06,-6.93,;4.39,-6.16,;5.73,-6.93,;4.39,-4.62,;3.06,-3.85,;-6.28,3.08,;-6.28,4.62,)|
Structure:
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