Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50234431
Substrate
n/a
Meas. Tech.
ChEBML_1652698
IC50
1557000±n/a nM
Citation
 Barniol-Xicota, M; Kwak, SH; Lee, SD; Caseley, E; Valverde, E; Jiang, LH; Kim, YC; Vázquez, S Escape from adamantane: Scaffold optimization of novel P2X7 antagonists featuring complex polycycles. Bioorg Med Chem Lett 27:759-763 (2017) [PubMed]  Article 
Target
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:
MPACCSCSDVFQYETNKVTRIQSMNYGTIKWFFHVIIFSYVCFALVSDKLYQRKEPVISSVHTKVKGIAEVKEEIVENGVKKLVHSVFDTADYTFPLQGNSFFVMTNFLKTEGQEQRLCPEYPTRRTLCSSDRGCKKGWMDPQSKGIQTGRCVVYEGNQKTCEVSAWCPIEAVEEAPRPALLNSAENFTVLIKNNIDFPGHNYTTRNILPGLNITCTFHKTQNPQCPIFRLGDIFRETGDNFSDVAIQGGIMGIEIYWDCNLDRWFHHCRPKYSFRRLDDKTTNVSLYPGYNFRYAKYYKENNVEKRTLIKVFGIRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLAAVFIDFLIDTYSSNCCRSHIYPWCKCCQPCVVNEYYYRKKCESIVEPKPTLKYVSFVDESHIRMVNQQLLGRSLQDVKGQEVPRPAMDFTDLSRLPLALHDTPPIPGQPEEIQLLRKEATPRSRDSPVWCQCGSCLPSQLPESHRCLEELCCRKKPGACITTSELFRKLVLSRHVLQFLLLYQEPLLALDVDSTNSRLRHCAYRCYATWRFGSQDMADFAILPSCCRWRIRKEFPKSEGQYSGFKSPY
  
Inhibitor
Name:
BDBM50234431
Synonyms:
CHEMBL4066254
Type:
Small organic molecule
Emp. Form.:
C20H16ClF3N2O
Mol. Mass.:
392.802
SMILES:
FC(F)(F)c1ccc(NNC(=O)C23C4C=CC5C4C4C(C=CC24)C35)c(Cl)c1 |c:14,21,TLB:15:16:13.12:19.18,15:16:13:22.18,10:12:14.15:17,THB:19:23:14.15:17,19:23:13:22.18,22:12:14.15:17,18:17:14.15:12.23|
Structure:
Search PDB for entries with ligand similarity: