| Reaction Details |
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 | Report a problem with these data |
| Target | P2X purinoceptor |
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| Ligand | BDBM50087267 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1509070 (CHEMBL3602553) |
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| IC50 | 130±n/a nM |
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| 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 Lett25:3164-7 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| P2X purinoceptor |
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| Name: | P2X purinoceptor |
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| Synonyms: | P2X purinoceptor | P2X7 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 67359.21 |
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| Organism: | Cavia porcellus |
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| Description: | ChEMBL_109852 |
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| Residue: | 594 |
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| Sequence: | MPGCSCWDDVFQYETNKVTRIQSRNYGTLKWVLHLIVFSYISFALVTDKMYQRKEPVISS
VHSKVKGMAEVTEEVVGGVRRSVQKVLDTADYTLPLQGNSFFVMTNYLQTEGQERGLCPE
YPTPRTRCSSDRGCKKGWRDPKSKGIQTGRCVVYSGTTKTCEVAAWCPVEAVIEAPRPAI
LSSAENLTVLIKNNVHFPGHNYTTRNILPGLNASCTFHKTKNPECPIFRLGDIFQEAGDN
FSDVAVQGGIMGIEINWDCNLDKWSHHCRPKYSFRRLDDKSVEEILVPGYNFRYAKYYRE
NNVEKRTLIKVFGVRFDILVFGTGGKFDIISLIVYIGSTLSYFGLATVFIDFLINTYSSA
LCRSHVYPWCPCCKPCAANEYYYRKKCQATVEPKPTLKYVSFVDEPHIRMVDQRLLGKSL
QYVKGQKVPRPPTDFTLLSKLPTSPPDPAPAPTQLEEMQPLRRPDTSASGDSPEWCQCGS
CRPSQLPKDSRCLEELCCRRGPGPCITTSELFGDLVLSRPALRQLLLYQEPLLVLDGEAT
NSGLRHCAYRCYTTWRFGAQDVADFGILPSCCRWRIRSEFPRSHGQYSGFRCPY
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| BDBM50087267 |
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| n/a |
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| Name | BDBM50087267 |
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| 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) |
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| Type | Small organic molecule |
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| Emp. Form. | C38H35N5O6S2 |
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| Mol. Mass. | 721.844 |
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| SMILES | CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1cccc2cnccc12 |r| |
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| Structure | 
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