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Target
p2X7 purinoceptor
Ligand
BDBM50087267
Substrate
n/a
Meas. Tech.
ChEMBL_1509071 (CHEMBL3602554)
IC50
10.0±n/a nM
Citation
 Caseley, EA; Muench, SP; Baldwin, SA; Simmons, K; Fishwick, CW; Jiang, LH Docking of competitive inhibitors to the P2X7 receptor family reveals key differences responsible for changes in response between rat and human. Bioorg Med Chem Lett 25:3164-7 (2015) [PubMed]  Article 
Target
Name:
p2X7 purinoceptor
Synonyms:
P2X7 | P2X7 purinoceptor
Type:
PROTEIN
Mol. Mass.:
23390.21
Organism:
Canis lupus familiaris
Description:
ChEMBL_109853
Residue:
205
Sequence:
MPACCSCNDIFQYETNKIIRIQSMNYGTIKWIFHVIIFSYISFALISDKRYQQKEPLISSVHTKVKGTAEVKMEILENGIKKMVSTVFDTADYTFPLQGNSFFVMTNFLKTEGQQQGFCPEFPTRRTLCSNDWGCKKGWMDPQSKGIQTGRCIEYKGKQKTCEVSAWCPIEAVEEAPRPALLNGAENFTVLIKNNIDFPGHNYTT
  
Inhibitor
Name:
BDBM50087267
Synonyms:
(1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4phenylpiperazine) | (S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate | 1-(N,O-bis(1,5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4-phenylpiperazine | CHEMBL28324 | Isoquinoline-5-sulfonic acid 4-[(S)-2-[(isoquinoline-5-sulfonyl)-methyl-amino]-3-oxo-3-(4-phenyl-piperazin-1-yl)-propyl]-phenyl ester | KN-62 | [(1-[N,O-bis(5-isoquinolinesulphonyl)-N-methyl-Ltyrosyl]-4-phenylpiperazine)
Type:
Small organic molecule
Emp. Form.:
C38H35N5O6S2
Mol. Mass.:
721.844
SMILES:
CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r|
Structure:
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