| Reaction Details |
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 | Report a problem with these data |
| Target | Orexin/Hypocretin receptor type 1 |
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| Ligand | BDBM50318701 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1650595 (CHEMBL3999729) |
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| IC50 | 199±n/a nM |
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| Citation |  Wu, S; Sun, Y; Hu, Y; Zhang, H; Hou, L; Liu, X; Li, Y; He, H; Luo, Z; Chen, Y; Wang, Y; Shi, W; Shen, L; Cao, C; Liang, W; Xu, Q; Lv, Q; Lan, J; Li, J; Chen, S Discovery of novel substituted octahydropyrrolo[3,4-c]pyrroles as dual orexin receptor antagonists for insomnia treatment. Bioorg Med Chem Lett27:1458-1462 (2017) [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 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 47554.50 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O43613 |
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| Residue: | 425 |
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| Sequence: | MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVA
LVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCK
VIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQA
AVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFR
KLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKML
MVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNF
LSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSV
TTVLP
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| BDBM50318701 |
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| n/a |
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| Name | BDBM50318701 |
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| Synonyms: | CHEMBL1083659 | MK-4305 | [(7R)-4-(5-Chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23ClN6O2 |
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| Mol. Mass. | 450.921 |
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| SMILES | C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc2cc(Cl)ccc2o1 |r| |
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| Structure | 
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