Reaction Details |
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Target | Alpha-2A adrenergic receptor |
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Ligand | BDBM50554684 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2050317 (CHEMBL4705016) |
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Ki | 4700±n/a nM |
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Citation | Lu, J; Bart, AG; Wu, Q; Criscione, KR; McLeish, MJ; Scott, EE; Grunewald, GL Structure-Based Drug Design of Bisubstrate Inhibitors of Phenylethanolamine J Med Chem63:13878-13898 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Alpha-2A adrenergic receptor |
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Name: | Alpha-2A adrenergic receptor |
Synonyms: | ADA2A_RAT | Adra2a | Alpha-2A adrenoceptor | Alpha-2A adrenoreceptor | Alpha-2AAR | Alpha-2D adrenergic receptor | CA2-47 |
Type: | PROTEIN |
Mol. Mass.: | 50650.57 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_104693 |
Residue: | 465 |
Sequence: | MFRQEQPLAEGSFAPMGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLML
FTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVW
CEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVIS
FPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKR
RTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRP
RDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGAS
GSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPY
QLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
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BDBM50554684 |
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n/a |
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Name | BDBM50554684 |
Synonyms: | CHEMBL4796664 |
Type | Small organic molecule |
Emp. Form. | C25H35N7O3S |
Mol. Mass. | 513.655 |
SMILES | Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCCCNCC2Cc3ccccc3CN2)[C@@H](O)[C@H]1O |r| |
Structure |
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