Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP2X purinoceptor 7
LigandBDBM50126710
Substrate/Competitorn/a
Meas. Tech.ChEMBL_147560 (CHEMBL751759)
IC50 101±n/a nM
Citation Baraldi, PGdel Carmen Nuñez, MMorelli, AFalzoni, SDi Virgilio, FRomagnoli, R Synthesis and biological activity of N-arylpiperazine-modified analogues of KN-62, a potent antagonist of the purinergic P2X7 receptor. J Med Chem46:1318-29 (2003) [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:
BDBM50126710
n/a
NameBDBM50126710
Synonyms:CHEMBL28152 | Isoquinoline-5-sulfonic acid 4-{(S)-3-[4-(4-amino-phenyl)-piperazin-1-yl]-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-propyl}-phenyl ester
TypeSmall organic molecule
Emp. Form.C38H36N6O6S2
Mol. Mass.736.859
SMILESCN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccc(N)cc1)S(=O)(=O)c1cccc2cnccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: