Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50587053
Substrate
n/a
Meas. Tech.
ChEMBL_2170680 (CHEMBL5055814)
IC50
200±n/a nM
Citation
 Hopper, AT; Juhl, M; Hornberg, J; Badolo, L; Kilburn, JP; Thougaard, A; Smagin, G; Song, D; Calice, L; Menon, V; Dale, E; Zhang, H; Cajina, M; Nattini, ME; Gandhi, A; Grenon, M; Jones, K; Khayrullina, T; Chandrasena, G; Thomsen, C; Zorn, SH; Brodbeck, R; Poda, SB; Staal, R; Möller, T Synthesis and Characterization of the Novel Rodent-Active and CNS-Penetrant P2X7 Receptor Antagonist Lu AF27139. J Med Chem 64:4891-4902 (2021) [PubMed]  Article 
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:
BDBM50587053
Synonyms:
E133
Type:
Small organic molecule
Emp. Form.:
C47H49N3O7S2
Mol. Mass.:
832.038
SMILES:
CCOc1ccc(Nc2ccc(cc2)C(=C2\C=C/C(/C=C2C)=[N+](/CC)Cc2cccc(c2)S([O-])(=O)=O)\c2ccc(cc2C)N(CC)Cc2cccc(c2)S(O)(=O)=O)cc1 |c:17,20|
Structure:
Search PDB for entries with ligand similarity: