Reaction Details |
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Target | Orexin/Hypocretin receptor type 1 |
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Ligand | BDBM50318697 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1351467 (CHEMBL3267683) |
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IC50 | 27±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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BDBM50318697 |
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n/a |
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Name | BDBM50318697 |
Synonyms: | 6-Fluoro-2-{(5R)-5-Methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline | CHEMBL1083358 |
Type | Small organic molecule |
Emp. Form. | C23H22FN7O |
Mol. Mass. | 431.4655 |
SMILES | C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1ncc2cc(F)ccc2n1 |r| |
Structure |
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