Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50121792
Substrate
n/a
Meas. Tech.
ChEMBL_323053 (CHEMBL857324)
EC50
0.52±n/a nM
Citation
 Asahi, SEgashira, SMatsuda, MIwaasa, HKanatani, AOhkubo, MIhara, MMorishima, H Development of an orexin-2 receptor selective agonist, [Ala(11), D-Leu(15)]orexin-B. Bioorg Med Chem Lett 13:111-3 (2002) [PubMed]  Article 
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:
BDBM50121792
Synonyms:
CHEMBL439541 | [D-Ala19]orexin-B
Type:
Small organic molecule
Emp. Form.:
C124H214N44O35S
Mol. Mass.:
2913.365
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |wU:80.80,75.76,69.69,125.125,56.56,41.41,105.105,2.2,8.12,187.189,20.20,89.89,wD:133.133,157.157,193.195,116.116,46.45,36.36,148.148,4.4,97.97,16.16,26.27,172.174,179.182,64.65,(16.59,-13.85,;16.59,-15.39,;15.25,-16.16,;13.92,-15.39,;15.25,-17.7,;16.59,-18.47,;17.92,-17.7,;17.92,-16.16,;19.26,-18.47,;19.26,-20.01,;17.92,-20.78,;17.92,-22.32,;16.59,-20.01,;20.59,-17.7,;21.92,-18.47,;21.92,-20.01,;23.26,-17.7,;24.59,-18.47,;25.92,-17.7,;25.92,-16.16,;27.27,-18.47,;28.6,-17.7,;27.27,-20.01,;25.92,-20.78,;25.93,-22.32,;24.61,-23.1,;23.26,-16.16,;24.59,-15.39,;21.92,-15.39,;13.92,-18.47,;13.92,-20.01,;12.59,-17.71,;11.26,-18.48,;9.92,-17.71,;9.92,-16.17,;8.59,-18.48,;7.26,-17.71,;7.26,-16.17,;5.92,-18.48,;5.92,-20.02,;4.59,-17.71,;3.25,-18.48,;3.25,-20.02,;1.92,-17.71,;1.92,-16.17,;.58,-18.48,;-.75,-17.71,;-.75,-16.17,;-2.09,-15.4,;-3.31,-16.34,;-4.58,-15.47,;-4.14,-13.99,;-2.6,-13.95,;-2.09,-18.48,;-2.09,-20.02,;-3.42,-17.71,;-4.75,-18.48,;-4.75,-20.02,;-6.09,-20.79,;-7.42,-20.02,;-6.09,-22.33,;-6.09,-17.71,;-6.09,-16.17,;-7.42,-18.48,;-8.75,-17.73,;-10.08,-18.5,;-8.75,-16.18,;-7.41,-15.41,;-10.08,-15.41,;-10.05,-13.9,;-11.34,-13.09,;-11.3,-11.55,;-8.69,-13.15,;-7.38,-13.96,;-8.65,-11.61,;-7.32,-10.84,;-7.32,-9.3,;-5.98,-11.61,;-5.98,-13.15,;-4.65,-10.84,;-4.66,-9.3,;-6,-8.54,;-6.01,-7,;-7.34,-6.24,;-8.66,-7.03,;-7.35,-4.7,;-3.32,-8.53,;-3.34,-6.99,;-1.98,-9.29,;-.65,-8.52,;-.65,-6.98,;.69,-6.21,;.69,-4.67,;2.02,-6.98,;.69,-9.29,;.69,-10.83,;2.02,-8.52,;3.35,-9.29,;3.35,-10.83,;4.69,-11.6,;4.69,-13.14,;6.02,-10.83,;4.69,-8.52,;4.69,-6.98,;6.02,-9.29,;7.35,-8.52,;7.35,-6.98,;8.69,-6.21,;8.69,-4.67,;10.03,-3.92,;11.37,-4.69,;12.7,-3.92,;11.37,-6.23,;8.69,-9.29,;8.69,-10.83,;10.02,-8.51,;11.35,-9.28,;11.35,-10.82,;12.69,-11.59,;12.69,-13.13,;14.02,-13.9,;11.35,-13.9,;12.69,-8.51,;12.69,-6.97,;14.02,-9.29,;15.35,-8.52,;15.35,-6.98,;16.69,-6.21,;16.69,-4.67,;18.02,-6.98,;16.69,-9.29,;16.69,-10.83,;18.02,-8.51,;19.36,-9.28,;19.36,-10.82,;20.69,-11.59,;20.69,-13.13,;22.03,-13.9,;23.37,-13.14,;24.7,-13.91,;23.37,-11.6,;20.69,-8.51,;20.69,-6.97,;22.03,-9.29,;23.37,-8.53,;23.37,-6.99,;22.03,-6.22,;24.69,-6.22,;24.71,-4.68,;26.05,-3.92,;26.06,-2.38,;27.4,-1.62,;27.41,-.08,;28.73,-2.4,;23.38,-3.9,;22.04,-4.66,;23.39,-2.36,;22.06,-1.59,;22.07,-.06,;23.41,.71,;23.41,2.25,;24.74,-.06,;20.72,-2.36,;20.72,-3.9,;19.39,-1.58,;18.06,-2.35,;16.73,-1.59,;15.4,-2.36,;16.72,-.05,;17.97,.87,;17.49,2.33,;15.95,2.33,;15.48,.87,;14.15,.08,;14.17,-1.46,;12.81,.83,;12.33,2.29,;10.79,2.29,;10.31,.83,;11.56,-.08,;11.56,-1.62,;12.89,-2.39,;10.22,-2.4,;8.89,-1.63,;7.55,-2.4,;7.55,-3.94,;6.21,-1.63,;4.88,-2.4,;4.88,-3.94,;3.54,-4.71,;3.54,-1.63,;3.54,-.09,;2.22,-2.4,;.89,-1.63,;.89,-.09,;-.45,.68,;-.45,2.22,;-1.77,2.99,;-3.1,2.22,;-4.44,2.99,;-3.11,.68,;-.45,-2.4,;-1.78,-1.63,;-.45,-3.94,)|
Structure:
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