Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50587051
Substrate
n/a
Meas. Tech.
ChEMBL_2170680 (CHEMBL5055814)
IC50
2.4±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:
BDBM50587051
Synonyms:
CHEMBL5086274
Type:
Small organic molecule
Emp. Form.:
C21H19ClF3N5O2S
Mol. Mass.:
497.921
SMILES:
FC(F)(F)c1nc(sc1C(=O)NC[C@@H](N1CCOCC1)c1ccc(Cl)cc1)-c1ncccn1 |r|
Structure:
Search PDB for entries with ligand similarity: