Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM570520
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:
BDBM570520
Synonyms:
(5S*,8R*)-N-(2-chloro- 4-fluorobenzyl)-5- fluoro-8-hydroxy-8- ((3-methoxyazetidin- 1-yl)methyl)- 5,6,7,8-tetrahydro- quinoline-5-carboxamide | US11439633, Example 53
Type:
Small organic molecule
Emp. Form.:
C22H24ClF2N3O3
Mol. Mass.:
451.894
SMILES:
COC1CC(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,(-.24,-7.13,;-1.73,-6.73,;-2.13,-5.25,;-3.46,-4.48,;-2.69,-3.14,;-1.36,-3.91,;-3.09,-1.66,;-2,-.57,;-.91,-1.66,;-.67,.2,;-.67,1.74,;-2,2.51,;-.67,3.28,;-2,4.05,;-3.33,4.82,;-.67,4.82,;.67,4.05,;2,4.82,;2,6.36,;3.33,7.13,;4.67,6.36,;6,7.13,;4.67,4.82,;3.33,4.05,;3.33,2.51,;-3.33,1.74,;-4.67,2.51,;-6,1.74,;-6,.2,;-4.67,-.57,;-3.33,.2,)|
Structure:
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