Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM570521
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:
BDBM570521
Synonyms:
(5S*,8R*)-N-(2-chloro- 4-fluorobenzyl)-5- fluoro-8-hydroxy- 8-((3-hydroxy- 3-methylazetidin- 1-yl)methyl)-5,6,7,8- tetrahydroquinoline- 5-carboxamide | US11439633, Example 54
Type:
Small organic molecule
Emp. Form.:
C22H24ClF2N3O3
Mol. Mass.:
451.894
SMILES:
CC1(O)CC(C1)N[C@]1(O)CC[C@@](F)(C(=O)NCc2ccc(F)cc2Cl)c2cccnc12 |r,wU:11.12,7.7,wD:11.13,7.8,(-2.9,-6.86,;-2.13,-5.52,;-.79,-6.29,;-3.46,-4.75,;-2.69,-3.42,;-1.36,-4.19,;-3.09,-1.93,;-2,-.84,;-.91,-1.93,;-.67,-.07,;-.67,1.47,;-2,2.24,;-.67,3.01,;-2,3.78,;-3.33,4.55,;-.67,4.55,;.67,3.78,;2,4.55,;2,6.09,;3.33,6.86,;4.67,6.09,;6,6.86,;4.67,4.55,;3.33,3.78,;3.33,2.24,;-3.33,1.47,;-4.67,2.24,;-6,1.47,;-6,-.07,;-4.67,-.84,;-3.33,-.07,)|
Structure:
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