Reaction Details |
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Target | Orexin/Hypocretin receptor type 1 |
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Ligand | BDBM50454547 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1752782 (CHEMBL4187542) |
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Ki | 2.1±n/a nM |
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Citation | Ohrui, S; Yamamoto, N; 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 II: Drastic effect of the 14-hydroxy group on the orexin 1 receptor antagonistic activity. Bioorg Med Chem Lett28:774-777 (2018) [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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BDBM50454547 |
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n/a |
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Name | BDBM50454547 |
Synonyms: | CHEMBL4213974 |
Type | Small organic molecule |
Emp. Form. | C31H30N2O6S |
Mol. Mass. | 558.645 |
SMILES | [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14C5=CC[C@H]2N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)c1ccccc1)ccc3OC |r,t:16,THB:28:9:13:6.4.5| |
Structure |
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