Reaction Details |
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Target | Orexin/Hypocretin receptor type 1 |
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Ligand | BDBM50012613 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1351465 (CHEMBL3267681) |
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Ki | 0.400000±n/a nM |
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Citation | Roecker, AJ; Mercer, SP; Harrell, CM; Garson, SL; Fox, SV; Gotter, AL; Prueksaritanont, T; Cabalu, TD; Cui, D; Lemaire, W; Winrow, CJ; Renger, JJ; Coleman, PJ Discovery of dual orexin receptor antagonists with rat sleep efficacy enabled by expansion of the acetonitrile-assisted/diphosgene-mediated 2,4-dichloropyrimidine synthesis. Bioorg Med Chem Lett24:2079-85 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Orexin/Hypocretin receptor type 1 |
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Name: | Orexin/Hypocretin receptor type 1 |
Synonyms: | HCRTR1 | Hypocretin receptor type 1 | OX1R_HUMAN | Orexin receptor type 1 | Orexin receptor type 1 (OR 1) | Orexin receptor type 1 (OR-1) | Orexin receptor type 1 (OX1) | Orexin receptor type 1 (OX1R) | Orexin receptor type 1 (OxR1) | Ox1r |
Type: | Protein |
Mol. Mass.: | 47554.50 |
Organism: | Homo sapiens (Human) |
Description: | O43613 |
Residue: | 425 |
Sequence: | MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVA
LVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCK
VIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQA
AVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFR
KLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKML
MVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNF
LSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSV
TTVLP
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BDBM50012613 |
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n/a |
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Name | BDBM50012613 |
Synonyms: | CHEMBL3260833 |
Type | Small organic molecule |
Emp. Form. | C23H26N8OS |
Mol. Mass. | 462.571 |
SMILES | C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r| |
Structure |
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