Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121784
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.23±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:
BDBM50121784
Synonyms:
CHEMBL266409 | [Ala12]orexin-B
Type:
Small organic molecule
Emp. Form.:
C121H209N43O34S
Mol. Mass.:
2842.287
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](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](C)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:79.79,74.75,68.68,120.120,56.56,41.41,104.104,2.2,8.12,182.184,88.88,20.20,wD:128.128,152.152,46.45,115.116,188.190,36.36,4.4,143.143,96.96,16.16,26.27,167.169,174.177,(18.35,-18.06,;18.35,-19.6,;17.02,-20.37,;15.68,-19.6,;17.02,-21.91,;18.35,-22.68,;19.68,-21.91,;19.68,-20.37,;21.02,-22.68,;21.02,-24.22,;19.68,-24.99,;19.68,-26.53,;18.35,-24.22,;22.36,-21.91,;23.69,-22.68,;23.69,-24.22,;25.03,-21.91,;26.36,-22.68,;27.69,-21.91,;27.69,-20.37,;29.03,-22.68,;30.36,-21.91,;29.03,-24.22,;27.69,-24.99,;27.7,-26.53,;26.38,-27.31,;25.03,-20.37,;26.36,-19.6,;23.69,-19.6,;15.68,-22.68,;15.68,-24.22,;14.36,-21.92,;13.03,-22.69,;11.69,-21.92,;11.69,-20.38,;10.35,-22.69,;9.02,-21.92,;9.02,-20.38,;7.68,-22.69,;7.68,-24.23,;6.35,-21.92,;5.02,-22.69,;5.02,-24.23,;3.68,-21.92,;3.68,-20.38,;2.35,-22.69,;1.02,-21.92,;1.02,-20.38,;-.32,-19.61,;-1.54,-20.55,;-2.81,-19.68,;-2.37,-18.2,;-.84,-18.16,;-.32,-22.69,;-.32,-24.23,;-1.65,-21.92,;-2.98,-22.69,;-2.98,-24.23,;-4.32,-25,;-5.66,-24.23,;-4.32,-26.54,;-4.32,-21.92,;-4.32,-20.38,;-5.66,-22.69,;-6.98,-21.94,;-6.98,-20.39,;-5.65,-19.62,;-8.32,-19.62,;-8.28,-18.11,;-9.57,-17.3,;-9.53,-15.76,;-6.92,-17.36,;-5.61,-18.17,;-6.88,-15.83,;-5.55,-15.06,;-5.55,-13.52,;-4.21,-15.83,;-4.21,-17.37,;-2.88,-15.05,;-2.9,-13.52,;-4.23,-12.76,;-4.24,-11.21,;-5.58,-10.45,;-6.89,-11.24,;-5.58,-8.91,;-1.55,-12.74,;-1.57,-11.2,;-.22,-13.51,;1.11,-12.74,;1.11,-11.2,;2.45,-10.43,;2.45,-8.89,;3.78,-11.2,;2.45,-13.51,;2.45,-15.05,;3.79,-12.73,;5.12,-13.5,;5.12,-15.04,;6.46,-15.81,;6.46,-17.35,;7.79,-15.04,;6.46,-12.73,;6.46,-11.19,;7.79,-13.51,;9.12,-12.74,;9.12,-11.2,;10.46,-10.43,;10.46,-8.89,;11.8,-8.13,;13.13,-8.9,;14.47,-8.13,;13.14,-10.44,;10.46,-13.51,;10.46,-15.05,;11.79,-12.73,;13.12,-13.5,;13.12,-15.04,;14.46,-12.73,;14.46,-11.19,;15.79,-13.5,;17.12,-12.73,;17.12,-11.19,;18.46,-10.42,;18.46,-8.88,;19.79,-11.19,;18.46,-13.5,;18.46,-15.04,;19.79,-12.73,;21.12,-13.5,;21.12,-15.04,;22.46,-15.81,;22.46,-17.35,;23.8,-18.12,;25.13,-17.35,;26.47,-18.12,;25.13,-15.81,;22.46,-12.73,;22.46,-11.19,;23.79,-13.5,;25.13,-12.74,;25.13,-11.2,;23.8,-10.43,;26.46,-10.43,;26.47,-8.89,;27.81,-8.13,;27.82,-6.59,;29.16,-5.83,;29.18,-4.29,;30.49,-6.61,;25.14,-8.11,;23.8,-8.87,;25.16,-6.57,;23.83,-5.8,;23.84,-4.27,;25.18,-3.5,;25.18,-1.96,;26.51,-4.27,;22.49,-6.57,;22.49,-8.11,;21.15,-5.8,;19.82,-6.57,;18.49,-5.8,;17.16,-6.57,;18.49,-4.26,;19.74,-3.34,;19.26,-1.88,;17.72,-1.88,;17.24,-3.34,;15.92,-4.13,;15.93,-5.67,;14.57,-3.38,;14.1,-1.92,;12.56,-1.92,;12.08,-3.38,;13.33,-4.29,;13.33,-5.83,;14.66,-6.6,;11.98,-6.61,;10.65,-5.84,;9.31,-6.61,;9.31,-8.15,;7.98,-5.84,;6.65,-6.61,;6.65,-8.15,;5.31,-8.92,;5.31,-5.84,;5.31,-4.3,;3.99,-6.61,;2.66,-5.84,;2.66,-4.3,;1.32,-3.53,;1.32,-1.99,;-0,-1.22,;-1.34,-1.99,;-2.67,-1.22,;-1.34,-3.53,;1.32,-6.61,;-.02,-5.84,;1.32,-8.15,)|
Structure:
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