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Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM79967
Substrate
n/a
Meas. Tech.
Fluorescence-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1)
IC50
3234±n/a nM
Citation
 PubChem, PC Fluorescence-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1) PubChem Bioassay (2011)[AID] 
Target
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:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
  
Inhibitor
Name:
BDBM79967
Synonyms:
2-[(1S,3R,12bS)-12b-ethyl-1-[4-(2-furoyl)piperazine-1-carbonyl]-10-(2-furyl)-4-keto-1,2,3,6,7,12-hexahydropyrido[2,1-a]-carbolin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide | 2-[(1S,3R,12bS)-12b-ethyl-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-10-(furan-2-yl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide | 2-[(1S,3R,12bS)-12b-ethyl-10-(2-furanyl)-1-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]acetamide | 2-[(1S,3R,12bS)-12b-ethyl-10-(furan-2-yl)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethanamide | MLS002642845 | SMR001551227 | cid_44601856
Type:
Small organic molecule
Emp. Form.:
C43H51N5O6
Mol. Mass.:
733.8949
SMILES:
CC[C@@]12[C@H](C[C@H](CC(=O)NC\C=C(/C)CCC=C(C)C)C(=O)N1CCc1c2[nH]c2cc(ccc12)-c1ccco1)C(=O)N1CCN(CC1)C(=O)c1ccco1 |wU:5.5,wD:2.1,3.43,(11.18,3.81,;12.32,2.78,;13.68,3.5,;14.15,1.97,;15.72,1.62,;16.79,2.81,;18.3,2.5,;19.33,3.65,;18.84,5.11,;20.83,3.33,;21.86,4.48,;23.37,4.17,;24.39,5.31,;23.91,6.78,;25.9,5,;26.93,6.15,;28.43,5.83,;29.46,6.98,;30.97,6.67,;28.98,8.44,;16.29,4.33,;17.3,5.49,;14.71,4.64,;14.24,6.11,;12.73,6.43,;11.7,5.28,;12.17,3.82,;10.93,2.92,;9.7,3.82,;8.14,3.47,;7.06,4.64,;7.56,6.16,;9.12,6.48,;10.17,5.28,;5.56,4.31,;4.41,5.34,;3.08,4.56,;3.41,3.06,;4.94,2.9,;13.11,.83,;11.61,1.17,;13.57,-.64,;12.52,-1.77,;12.98,-3.24,;14.49,-3.58,;15.53,-2.45,;15.07,-.97,;14.94,-5.05,;16.45,-5.39,;13.9,-6.18,;12.37,-6,;11.73,-7.4,;12.86,-8.44,;14.2,-7.69,)|
Structure:
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