| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A1 |
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| Ligand | BDBM21221 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_303550 (CHEMBL828801) |
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| Ki | 890±n/a nM |
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| Citation |  Cappellacci, L; Franchetti, P; Pasqualini, M; Petrelli, R; Vita, P; Lavecchia, A; Novellino, E; Costa, B; Martini, C; Klotz, KN; Grifantini, M Synthesis, biological evaluation, and molecular modeling of ribose-modified adenosine analogues as adenosine receptor agonists. J Med Chem48:1550-62 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Adenosine receptor A1 |
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| Name: | Adenosine receptor A1 |
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| Synonyms: | AA1R_BOVIN | ADENOSINE A1 | ADENOSINE A1 high | ADENOSINE A1 low | ADORA1 | Adenosine A1 receptor |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 36602.99 |
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| Organism: | BOVINE |
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| Description: | ADENOSINE 0 BOVINE::P28190 |
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| Residue: | 326 |
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| Sequence: | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
PRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPVDEDAPAERPDD
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| BDBM21221 |
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| n/a |
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| Name | BDBM21221 |
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| Synonyms: | (2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide | 2-Cl-IB-MECA | 2-chloro-N6-(3-iodobenzyl)adenosine-5-N-methylcarboxamide | C-IBzA-MU | C1-IB-MECA | CHEMBL431733 | CI-IB-MECA | Cl-IB-MECA | US20230364057, Compound 76 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18ClIN6O4 |
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| Mol. Mass. | 544.731 |
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| SMILES | CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |
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| Structure | 
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