| Reaction Details |
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 | Report a problem with these data |
| Target | Adenosine receptor A1 |
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| Ligand | BDBM50583643 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2157916 (CHEMBL5042666) |
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| Ki | <10000±n/a nM |
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| Citation |  Comeo, E; Trinh, P; Nguyen, AT; Nowell, CJ; Kindon, ND; Soave, M; Stoddart, LA; White, JM; Hill, SJ; Kellam, B; Halls, ML; May, LT; Scammells, PJ Development and Application of Subtype-Selective Fluorescent Antagonists for the Study of the Human Adenosine A J Med Chem64:6670-6695 (2021) [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: | 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) |
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| Type: | G Protein-Coupled Receptor (GPCR) |
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| Mol. Mass.: | 36520.92 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P30542 |
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| Residue: | 326 |
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| Sequence: | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVT
PRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFL
KIWNDHFRCQPAPPIDEDLPEERPDD
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| BDBM50583643 |
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| n/a |
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| Name | BDBM50583643 |
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| Synonyms: | CHEMBL5075098 |
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| Type | Small organic molecule |
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| Emp. Form. | C63H77N9O11S2 |
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| Mol. Mass. | 1200.469 |
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| SMILES | CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(C)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:33,TLB:78:79:76.77.82:83,THB:80:79:76:82.81.83,80:81:76:84.78.79,78:77:83:84.79.80| |
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| Structure | 
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