Reaction Details |
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Target | Adenosine receptor A1 |
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Ligand | BDBM6643 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_859654 (CHEMBL2168891) |
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Ki | 510±n/a nM |
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Citation | van Westen, GJ; van den Hoven, OO; van der Pijl, R; Mulder-Krieger, T; de Vries, H; Wegner, JK; Ijzerman, AP; van Vlijmen, HW; Bender, A Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. J Med Chem55:7010-20 (2012) [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 |
Synonyms: | A1 adenosine receptor (hA1) | A1AR | AA1R_HUMAN | ADENOSINE A1 | ADORA1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT) |
Type: | G Protein-Coupled Receptor (GPCR) |
Mol. Mass.: | 36520.92 |
Organism: | Homo sapiens (Human) |
Description: | P30542 |
Residue: | 326 |
Sequence: | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD
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BDBM6643 |
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n/a |
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Name | BDBM6643 |
Synonyms: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile | 4-Aryl-2-aminopyridine deriv. 10 |
Type | Small organic molecule |
Emp. Form. | C15H10N4O3 |
Mol. Mass. | 294.2649 |
SMILES | COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N |
Structure |
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