Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetP2X purinoceptor 7
LigandBDBM50237720
Substrate/Competitorn/a
Meas. Tech.ChEBML_1662405
IC50 58±n/a nM
Citation O'Brien-Brown, JJackson, AReekie, TABarron, MLWerry, ELSchiavini, PMcDonnell, MMunoz, LWilkinson, SNoll, BWang, SKassiou, M Discovery and pharmacological evaluation of a novel series of adamantyl cyanoguanidines as P2X Eur J Med Chem130:433-439 (2017) [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:
BDBM50237720
n/a
NameBDBM50237720
Synonyms:CHEMBL4092195
TypeSmall organic molecule
Emp. Form.C19H23FN4
Mol. Mass.326.4111
SMILESFc1ccccc1N\C(NCC12CC3CC(CC(C3)C1)C2)=N\C#N |TLB:10:11:14.13.18:16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: