Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP2X purinoceptor 7
LigandBDBM50370240
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1737460 (CHEMBL4153210)
IC50 3.0±n/a nM
Citation Kwak, SHShin, SLee, JHShim, JKKim, MLee, SDLee, ABae, JPark, JHAbdelrahman, AMüller, CECho, SKKang, SGBae, MAYang, JYKo, HGoddard, WAKim, YC Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem151:462-481 (2018) [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:
BDBM50370240
n/a
NameBDBM50370240
Synonyms:CHEMBL4171354
TypeSmall organic molecule
Emp. Form.C24H36Cl2N2O2
Mol. Mass.455.461
SMILESCl.OCCCNCCCc1ccc(Cl)c(c1)C(=O)NCC1C2CC3CC(C2)CC1C3 |TLB:26:25:29:22.21.20,26:21:24.25.27:29,THB:20:21:24:27.28.29,20:28:24:22.26.21,19:20:24.25.27:29,(15.67,-31.77,;24.66,-28.77,;23.32,-28.01,;21.99,-28.78,;20.65,-28.02,;19.32,-28.79,;17.98,-28.03,;16.65,-28.8,;15.32,-28.04,;13.99,-28.81,;13.99,-30.36,;12.65,-31.13,;11.32,-30.36,;9.99,-31.13,;11.32,-28.82,;12.65,-28.05,;9.99,-28.05,;9.99,-26.51,;8.65,-28.82,;7.32,-28.05,;5.99,-28.82,;5.98,-30.35,;4.58,-30.69,;3.25,-30.2,;2.06,-31.48,;3.56,-31.06,;4.96,-31.63,;3.55,-29.48,;4.59,-28.24,;3.24,-28.72,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: