Reaction Details |
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Target | Adenosine receptor A1 |
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Ligand | BDBM50583642 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2157916 (CHEMBL5042666) |
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Ki | 5.9±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 |
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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BDBM50583642 |
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n/a |
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Name | BDBM50583642 |
Synonyms: | CHEMBL5080416 |
Type | Small organic molecule |
Emp. Form. | C60H67BF2N10O7S |
Mol. Mass. | 1121.11 |
SMILES | CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:47,49,t:44,TLB:74:75:72.73.78:79,THB:76:75:72:78.77.79,76:77:72:80.74.75,74:73:79:80.75.76| |
Structure |
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