Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121811
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
1.6±n/a nM
Citation
 Asahi, S; Egashira, S; Matsuda, M; Iwaasa, H; Kanatani, A; Ohkubo, M; Ihara, M; Morishima, 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 receptor type 2
Synonyms:
HCRTR2 | Hypocretin receptor type 2 | OX2R_HUMAN | Orexin receptor type 2 (OR 2) | Orexin receptor type 2 (OR-2) | Orexin receptor type 2 (OX2) | Orexin receptor type 2 (OX2R) | Orexin receptor type 2 (OxR2) | Ox-2-R | Ox2-R
Type:
Protein
Mol. Mass.:
50710.53
Organism:
Homo sapiens (Human)
Description:
O43614
Residue:
444
Sequence:
MSGTKLEDSPPCRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVIIWIVSCIIMIPQAIVMECSTVFPGLANKTTLFTVCDERWGGEIYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKPLQPVSQPRGPGQPTKSRMSAVAAEIKQIRARRKTARMLMIVLLVFAICYLPISILNVLKRVFGMFAHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCCLGVHHRQEDRLTRGRTSTESRKSLTTQISNFDNISKLSEQVVLTSISTLPAANGAGPLQNW
  
Inhibitor
Name:
BDBM50121811
Synonyms:
CHEMBL440060 | [Ala18]orexin-B
Type:
Small organic molecule
Emp. Form.:
C123H212N44O34S
Mol. Mass.:
2883.339
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)NCC(=O)N[C@@H](C)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:78.78,73.74,68.69,123.123,56.56,41.41,103.103,2.2,8.12,185.187,20.20,87.87,wD:131.131,155.155,191.193,114.114,46.45,36.36,146.146,4.4,95.95,16.16,26.27,170.172,177.180,(18.89,-13.52,;18.89,-15.06,;17.55,-15.83,;16.22,-15.06,;17.55,-17.37,;18.89,-18.14,;20.22,-17.36,;20.22,-15.82,;21.56,-18.13,;21.56,-19.67,;20.22,-20.44,;20.22,-21.98,;18.89,-19.67,;22.89,-17.36,;24.22,-18.14,;24.22,-19.68,;25.56,-17.37,;26.89,-18.14,;28.22,-17.36,;28.22,-15.82,;29.56,-18.13,;30.9,-17.36,;29.56,-19.67,;28.22,-20.44,;28.23,-21.98,;26.91,-22.76,;25.56,-15.83,;26.89,-15.06,;24.22,-15.06,;16.22,-18.14,;16.22,-19.68,;14.89,-17.37,;13.56,-18.14,;12.22,-17.37,;12.22,-15.83,;10.89,-18.14,;9.56,-17.37,;9.56,-15.83,;8.22,-18.14,;8.22,-19.68,;6.89,-17.37,;5.56,-18.14,;5.56,-19.68,;4.22,-17.37,;4.22,-15.83,;2.88,-18.14,;1.55,-17.37,;1.55,-15.83,;.21,-15.07,;-1.01,-16.01,;-2.28,-15.13,;-1.84,-13.66,;-.3,-13.62,;.21,-18.14,;.21,-19.68,;-1.12,-17.37,;-2.45,-18.14,;-2.45,-19.68,;-3.79,-20.45,;-5.12,-19.68,;-3.79,-21.99,;-3.79,-17.37,;-3.79,-15.83,;-5.12,-18.14,;-6.45,-17.39,;-6.45,-15.84,;-5.11,-15.08,;-7.78,-15.07,;-7.75,-13.56,;-9.04,-12.75,;-6.39,-12.81,;-5.08,-13.62,;-6.35,-11.28,;-5.02,-10.51,;-5.02,-8.97,;-3.68,-11.28,;-3.68,-12.82,;-2.35,-10.51,;-2.36,-8.97,;-3.7,-8.21,;-3.71,-6.66,;-5.04,-5.91,;-6.36,-6.69,;-5.05,-4.36,;-1.02,-8.19,;-1.04,-6.65,;.32,-8.96,;1.65,-8.19,;1.65,-6.65,;2.99,-5.88,;2.99,-4.34,;4.32,-6.65,;2.99,-8.96,;2.99,-10.5,;4.32,-8.19,;5.65,-8.96,;5.65,-10.5,;6.99,-11.27,;6.99,-12.81,;8.32,-10.5,;6.99,-8.19,;6.99,-6.65,;8.32,-8.96,;9.65,-8.19,;9.65,-6.65,;10.99,-5.88,;10.99,-4.34,;12.33,-3.59,;13.67,-4.36,;15,-3.59,;13.67,-5.89,;10.99,-8.96,;10.99,-10.5,;12.32,-8.18,;13.65,-8.95,;13.65,-10.49,;14.99,-11.26,;14.99,-12.8,;16.32,-13.57,;13.65,-13.57,;14.99,-8.18,;14.99,-6.64,;16.32,-8.95,;17.65,-8.18,;17.65,-6.64,;18.99,-5.87,;18.99,-4.33,;20.32,-6.64,;18.99,-8.95,;18.99,-10.49,;20.32,-8.18,;21.66,-8.95,;21.66,-10.49,;22.99,-11.26,;22.99,-12.8,;24.33,-13.57,;25.67,-12.8,;27,-13.57,;25.67,-11.26,;22.99,-8.18,;22.99,-6.64,;24.33,-8.95,;25.66,-8.2,;25.67,-6.65,;24.33,-5.88,;26.99,-5.88,;27.01,-4.35,;28.35,-3.59,;28.35,-2.04,;29.69,-1.28,;29.71,.25,;31.02,-2.07,;25.68,-3.56,;24.34,-4.32,;25.69,-2.02,;24.36,-1.25,;24.37,.27,;25.71,1.04,;25.71,2.58,;27.04,.27,;23.02,-2.02,;23.02,-3.56,;21.69,-1.25,;20.36,-2.02,;19.03,-1.25,;17.7,-2.03,;19.02,.29,;20.27,1.2,;19.79,2.66,;18.25,2.66,;17.78,1.2,;16.45,.42,;16.47,-1.12,;15.11,1.17,;14.63,2.63,;13.09,2.63,;12.61,1.17,;13.86,.25,;13.86,-1.29,;15.19,-2.06,;12.52,-2.07,;11.19,-1.3,;9.85,-2.07,;9.85,-3.6,;8.51,-1.3,;7.18,-2.07,;7.18,-3.6,;5.84,-4.37,;5.84,-1.3,;5.84,.24,;4.52,-2.07,;3.19,-1.3,;3.19,.24,;1.85,1.01,;1.85,2.55,;.53,3.32,;-.8,2.56,;-2.14,3.33,;-.81,1.02,;1.85,-2.07,;.52,-1.29,;1.85,-3.6,)|
Structure:
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