Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM203331
Substrate
n/a
Meas. Tech.
Ca2+ Flux Assay
pH
7.4±n/a
Ki
3.20±n/a nM
IC50
10±n/a nM
Comments
extracted
Citation
 Letavic, MA; Rudolph, DA P2X7 modulators US Patent  US9540388 Publication Date 1/10/2017 
Target
Name:
P2X purinoceptor 7
Synonyms:
ATP receptor | P2RX7_RAT | P2X purinoceptor 7 | P2X purinoceptor 7 (P2RX7) | P2X purinoceptor 7 (P2X7) | P2X7 | P2X7 rat | P2Z receptor | P2rx7 | Purinergic receptor
Type:
Protein
Mol. Mass.:
68403.50
Organism:
Rattus norvegicus (Rat)
Description:
Q64663
Residue:
595
Sequence:
MPACCSWNDVFQYETNKVTRIQSVNYGTIKWILHMTVFSYVSFALMSDKLYQRKEPLISSVHTKVKGVAEVTENVTEGGVTKLVHGIFDTADYTLPLQGNSFFVMTNYLKSEGQEQKLCPEYPSRGKQCHSDQGCIKGWMDPQSKGIQTGRCIPYDQKRKTCEIFAWCPAEEGKEAPRPALLRSAENFTVLIKNNIDFPGHNYTTRNILPGMNISCTFHKTWNPQCPIFRLGDIFQEIGENFTEVAVQGGIMGIEIYWDCNLDSWSHRCQPKYSFRRLDDKYTNESLFPGYNFRYAKYYKENGMEKRTLIKAFGVRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLATVCIDLIINTYASTCCRSRVYPSCKCCEPCAVNEYYYRKKCEPIVEPKPTLKYVSFVDEPHIWMVDQQLLGKSLQDVKGQEVPRPQTDFLELSRLSLSLHHSPPIPGQPEEMQLLQIEAVPRSRDSPDWCQCGNCLPSQLPENRRALEELCCRRKPGQCITTSELFSKIVLSREALQLLLLYQEPLLALEGEAINSKLRHCAYRSYATWRFVSQDMADFAILPSCCRWKIRKEFPKTQGQYSGFKYPY
  
Inhibitor
Name:
BDBM203331
Synonyms:
(6r,10s)-11-{[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbonyl}-3-pyridin-2-yl-5,6,7,8,9,10-hexahydro-6,10-epimino[1,2,4]triazolo[4,3-a]azocine | US10053462, 200 | US9540388, 200
Type:
Small organic molecule
Emp. Form.:
C21H16ClF4N5O
Mol. Mass.:
465.831
SMILES:
Fc1ccc(C(=O)N2[C@H]3CCC[C@@H]2c2nnc(-c4ccccn4)n2C3)c(Cl)c1C(F)(F)F |r,THB:5:7:13.23.24:9.10.11|
Structure:
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