Reaction Details |
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Target | Orexin/Hypocretin receptor type 1 |
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Ligand | BDBM104692 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1879202 (CHEMBL4380596) |
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Ki | 0.630957±n/a nM |
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Citation | Rappas, M; Ali, AAE; Bennett, KA; Brown, JD; Bucknell, SJ; Congreve, M; Cooke, RM; Cseke, G; de Graaf, C; Doré, AS; Errey, JC; Jazayeri, A; Marshall, FH; Mason, JS; Mould, R; Patel, JC; Tehan, BG; Weir, M; Christopher, JA Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J Med Chem63:1528-1543 (2020) [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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BDBM104692 |
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n/a |
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Name | BDBM104692 |
Synonyms: | US8569311, E-5 |
Type | Small organic molecule |
Emp. Form. | C24H25FN4O2 |
Mol. Mass. | 420.4793 |
SMILES | C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1 |r| |
Structure |
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