Target
P2X purinoceptor 7
Ligand
BDBM50411431
Substrate
n/a
Meas. Tech.
ChEMBL_451545 (CHEMBL900721)
IC50
1259±n/a nM
Citation
 Furber, MAlcaraz, LBent, JEBeyerbach, ABowers, KBraddock, MCaffrey, MVCladingboel, DCollington, JDonald, DKFagura, MInce, FKinchin, ECLaurent, CLawson, MLuker, TJMortimore, MMPimm, ADRiley, RJRoberts, NRobertson, MTheaker, JThorne, PVWeaver, RWebborn, PWillis, P Discovery of potent and selective adamantane-based small-molecule P2X(7) receptor antagonists/interleukin-1beta inhibitors. J Med Chem 50:5882-5 (2007) [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:
BDBM50411431
Synonyms:
CHEMBL393717
Type:
Small organic molecule
Emp. Form.:
C22H30ClN3O
Mol. Mass.:
387.946
SMILES:
Clc1ccc(cc1C(=O)NCC12CC3CC(CC(C3)C1)C2)N1CCNCC1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:14.15.20:12,19:17:14:20.11.12,19:11:14:18.16.17|
Structure:
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