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Target
P2X purinoceptor 3
Ligand
BDBM648785
Substrate
n/a
Meas. Tech.
Evaluation of In Vitro Biological Activity
IC50
1.10±n/a nM
Citation
 LOU, J; CHEN, Y; LIU, J; ZHANG, Y; GUO, X; LIU, L; QIAN, L; WANG, C HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF US Patent  US20240034729 Publication Date 2/1/2024 
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:
BDBM648785
Synonyms:
US20240034729, Compound 177
Type:
Small organic molecule
Emp. Form.:
C21H22ClFN4O5S
Mol. Mass.:
496.94
SMILES:
COC(=O)N1CCO[C@@H](Cc2c(nc3cc(C)ccn23)-c2c(F)cc(cc2Cl)S(N)(=O)=O)C1 |r,wU:8.8,(-3.24,-6.57,;-3.64,-5.08,;-2.55,-3.99,;-1.06,-4.39,;-2.95,-2.5,;-4.44,-2.1,;-4.84,-.62,;-3.75,.47,;-2.26,.08,;-1.17,1.16,;-1.57,2.65,;-.66,3.9,;-1.57,5.14,;-3.03,4.67,;-4.37,5.44,;-5.7,4.67,;-7.04,5.44,;-5.7,3.13,;-4.37,2.36,;-3.03,3.13,;.88,3.9,;1.65,2.56,;.88,1.23,;3.19,2.56,;3.96,3.9,;3.19,5.23,;1.65,5.23,;.88,6.57,;5.5,3.9,;7.04,3.9,;5.5,2.36,;5.5,5.44,;-1.86,-1.41,)|
Structure:
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