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Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM373277
Substrate
n/a
Meas. Tech.
Cell-based Functional Assay
IC50
2.00±n/a nM
Citation
 Kamenecka, TM; He, Y; Nguyen, W; Jiang, R; Song, X; Herr, RJ; Jiang, Q Substituted prolines/piperidines as orexin receptor antagonists US Patent  US9896452 Publication Date 2/20/2018 
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:
BDBM373277
Synonyms:
US9896452, Example 141 | rac-N-(((1s,4s)-2-(2-methyl-5-phenylthiazole-4-carbonyl)-2-azabicyclo[2.2.2]octan-3-yl)methyl)quinoline-8-carboxamide
Type:
Small organic molecule
Emp. Form.:
C29H28N4O2S
Mol. Mass.:
496.623
SMILES:
Cc1nc(C(=O)N2C3CCC(CC3)C2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccccc1 |TLB:14:13:12.11:9.8,THB:4:6:12.11:9.8,(-7.23,-3.52,;-5.9,-2.75,;-5.42,-1.29,;-3.88,-1.29,;-2.79,-.2,;-1.3,-.6,;-3.19,1.29,;-4.52,1.89,;-4.52,3.89,;-3.65,5.04,;-3.65,3.32,;-5.29,2.6,;-6.09,1.39,;-2.39,2.6,;-.9,3,;.19,1.91,;1.68,2.31,;2.08,3.8,;2.77,1.22,;2.37,-.26,;3.46,-1.35,;4.94,-.96,;5.34,.53,;6.83,.93,;7.23,2.42,;6.14,3.51,;4.65,3.11,;4.25,1.62,;-3.4,-2.75,;-4.65,-3.66,;-1.92,-3.15,;-1.52,-4.64,;-.03,-5.04,;1.06,-3.95,;.66,-2.46,;-.83,-2.06,)|
Structure:
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