Reaction Details Report a problem with these data
Target
P2X purinoceptor 7
Ligand
BDBM50318021
Substrate
n/a
Meas. Tech.
ChEMBL_2170683 (CHEMBL5055817)
Ki
53±n/a nM
Citation
 Hopper, AT; Juhl, M; Hornberg, J; Badolo, L; Kilburn, JP; Thougaard, A; Smagin, G; Song, D; Calice, L; Menon, V; Dale, E; Zhang, H; Cajina, M; Nattini, ME; Gandhi, A; Grenon, M; Jones, K; Khayrullina, T; Chandrasena, G; Thomsen, C; Zorn, SH; Brodbeck, R; Poda, SB; Staal, R; Möller, T Synthesis and Characterization of the Novel Rodent-Active and CNS-Penetrant P2X7 Receptor Antagonist Lu AF27139. J Med Chem 64:4891-4902 (2021) [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:
BDBM50318021
Synonyms:
2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide | CHEMBL1094153
Type:
Small organic molecule
Emp. Form.:
C18H17ClF3N3O2
Mol. Mass.:
399.795
SMILES:
OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1
Structure:
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