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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Alpha-1D adrenergic receptor | ||
| Ligand | BDBM50400511 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1904391 (CHEMBL4406613) | ||
| Ki | 1184±n/a nM | ||
| Citation |  Moritz, AE; Free, RB; Weiner, WS; Akano, EO; Gandhi, D; Abramyan, A; Keck, TM; Ferrer, M; Hu, X; Southall, N; Steiner, J; Aubé, J; Shi, L; Frankowski, KJ; Sibley, DR Discovery, Optimization, and Characterization of ML417: A Novel and Highly Selective D J Med Chem63:5526-5567 (2020) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Alpha-1D adrenergic receptor | |||
| Name: | Alpha-1D adrenergic receptor | ||
| Synonyms: | ADA1D_HUMAN | ADRA1A | ADRA1D | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1D-adrenoceptor | Alpha 1D-adrenoreceptor | Alpha adrenergic receptor (1a and 1d) | Alpha-1D adrenoceptor | Alpha-adrenergic receptor 1a | adrenergic Alpha1D | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 60485.82 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | adrenergic Alpha1D ADRA1D HUMAN::P25100 | ||
| Residue: | 572 | ||
| Sequence: |
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| BDBM50400511 | |||
| n/a | |||
| Name | BDBM50400511 | ||
| Synonyms: | CHEMBL2203406 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H34N4O2S | ||
| Mol. Mass. | 478.649 | ||
| SMILES | CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)| | ||
| Structure | 
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