| Reaction Details |
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 | Report a problem with these data |
| Target | Orexin/Hypocretin receptor type 1 |
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| Ligand | BDBM50526577 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1900190 (CHEMBL4402305) |
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| Ki | 5.5±n/a nM |
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| Citation |  Yamamoto, N; Ohrui, S; Okada, T; Saitoh, T; Kutsumura, N; Nagumo, Y; Irukayama-Tomobe, Y; Ogawa, Y; Ishikawa, Y; Watanabe, Y; Hayakawa, D; Gouda, H; Yanagisawa, M; Nagase, H Essential structure of orexin 1 receptor antagonist YNT-707, part III: Role of the 14-hydroxy and the 3-methoxy groups in antagonistic activity toward the orexin 1 receptor in YNT-707 derivatives lacking the 4,5-epoxy ring. Bioorg Med Chem27:1747-1758 (2019) [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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| BDBM50526577 |
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| n/a |
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| Name | BDBM50526577 |
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| Synonyms: | CHEMBL4457194 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H34N2O5S |
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| Mol. Mass. | 546.677 |
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| SMILES | [H][C@@]12CC[C@H](C[C@@]11CCN([C@@H]2Cc2ccc(OC)cc12)S(=O)(=O)c1ccccc1)N(C)C(=O)\C=C\c1ccoc1 |r,THB:20:9:12.19.11:1| |
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| Structure | 
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