Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM570519
Substrate
n/a
Meas. Tech.
Human P2X7 Functional Assay
IC50
<50±n/a nM
Citation
 Arano, Y; Toyoshima, K; Sone, T; Matsubara, K Tetrahydroquinoline derivatives as P2X7 receptor antagonists US Patent  US11439633 Publication Date 9/13/2022 
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:
BDBM570519
Synonyms:
(5S*,8R*)-N-(2-chloro- 4-fluorobenzyl)-5- fluoro-8-hydroxy-8-((3- hydroxyazetidin-1- yl)methyl)-5,6,7,8- tetrahydroquinoline-5- carboxamide | US11439633, Example 52
Type:
Small organic molecule
Emp. Form.:
C21H22ClF2N3O3
Mol. Mass.:
437.867
SMILES:
OC1CC(C1)N[C@]1(O)CC[C@@](F)(C(=O)NCc2ccc(F)cc2Cl)c2cccnc12 |r,wU:10.11,6.6,wD:10.12,6.7,(-1.73,-6.93,;-2.13,-5.45,;-3.46,-4.68,;-2.69,-3.34,;-1.36,-4.11,;-3.09,-1.86,;-2,-.77,;-.91,-1.86,;-.67,0,;-.67,1.54,;-2,2.31,;-.67,3.08,;-2,3.85,;-3.33,4.62,;-.67,4.62,;.67,3.85,;2,4.62,;2,6.16,;3.33,6.93,;4.67,6.16,;6,6.93,;4.67,4.62,;3.33,3.85,;3.33,2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-6,0,;-4.67,-.77,;-3.33,0,)|
Structure:
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