Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP2X purinoceptor 7
LigandBDBM50344903
Substrate/Competitorn/a
Meas. Tech.ChEMBL_748931 (CHEMBL1781379)
IC50 28±n/a nM
Citation Matasi, JJBrumfield, STulshian, DCzarnecki, MGreenlee, WGarlisi, CGQiu, HDevito, KChen, SCSun, YBertorelli, RGeiss, WLe, VDMartin, GSVellekoop, SAHaber, JAllard, ML Synthesis and SAR development of novel P2X7 receptor antagonists for the treatment of pain: part 1. Bioorg Med Chem Lett21:3805-8 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
P2X purinoceptor 7
Name:P2X purinoceptor 7
Synonyms:ATP receptor | P2RX7 | P2RX7_HUMAN | P2X purinoceptor 7 (P2RX7) | P2X purinoceptor 7 (P2X7) | P2X7 | P2Z receptor | Purinergic receptor
Type:Protein
Mol. Mass.:68602.85
Organism:Homo sapiens (Human)
Description:Q99572
Residue:595
Sequence:
MPACCSCSDVFQYETNKVTRIQSMNYGTIKWFFHVIIFSYVCFALVSDKLYQRKEPVISS
VHTKVKGIAEVKEEIVENGVKKLVHSVFDTADYTFPLQGNSFFVMTNFLKTEGQEQRLCP
EYPTRRTLCSSDRGCKKGWMDPQSKGIQTGRCVVYEGNQKTCEVSAWCPIEAVEEAPRPA
LLNSAENFTVLIKNNIDFPGHNYTTRNILPGLNITCTFHKTQNPQCPIFRLGDIFRETGD
NFSDVAIQGGIMGIEIYWDCNLDRWFHHCRPKYSFRRLDDKTTNVSLYPGYNFRYAKYYK
ENNVEKRTLIKVFGIRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLAAVFIDFLIDTYSS
NCCRSHIYPWCKCCQPCVVNEYYYRKKCESIVEPKPTLKYVSFVDESHIRMVNQQLLGRS
LQDVKGQEVPRPAMDFTDLSRLPLALHDTPPIPGQPEEIQLLRKEATPRSRDSPVWCQCG
SCLPSQLPESHRCLEELCCRKKPGACITTSELFRKLVLSRHVLQFLLLYQEPLLALDVDS
TNSRLRHCAYRCYATWRFGSQDMADFAILPSCCRWRIRKEFPKSEGQYSGFKSPY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50344903
n/a
NameBDBM50344903
Synonyms:(R)-1-(3,4-difluorobenzyl)-2-(6-(3,3-difluoropiperidine-1-carbonyl)pyridin-3-yl)-5-ethyl-7-isopropyl-7,8-dihydro-1H-imidazo[2,1-b]purin-4(5H)-one | CHEMBL1778032
TypeSmall organic molecule
Emp. Form.C30H31F4N7O2
Mol. Mass.597.6065
SMILESCCN1C2=N[C@@H](CN2c2c(nc(-c3ccc(nc3)C(=O)N3CCCC(F)(F)C3)n2Cc2ccc(F)c(F)c2)C1=O)C(C)C |r,t:3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: