Reaction Details |
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Target | Adenosine receptor A1 |
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Ligand | BDBM50108681 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1506710 (CHEMBL3598726) |
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Ki | 4289±n/a nM |
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Citation | Deng, Q; Lim, YH; Anand, R; Yu, Y; Kim, JH; Zhou, W; Zheng, J; Tempest, P; Levorse, D; Zhang, X; Greene, S; Mullins, D; Culberson, C; Sherborne, B; Parker, EM; Stamford, A; Ali, A Use of molecular modeling aided design to dial out hERG liability in adenosine A(2A) receptor antagonists. Bioorg Med Chem Lett25:2958-62 (2015) [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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BDBM50108681 |
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n/a |
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Name | BDBM50108681 |
Synonyms: | CHEMBL3596516 |
Type | Small organic molecule |
Emp. Form. | C20H24N8OS |
Mol. Mass. | 424.523 |
SMILES | COc1cccc2c3nc(CN4CCN(C[C@H]4C)c4cnc(C)s4)nn3c(N)nc12 |r| |
Structure |
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