Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121780
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.22±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:
BDBM50121780
Synonyms:
CHEMBL414332 | [Ala2]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](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](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |wU:79.79,74.75,68.68,124.124,56.56,41.41,104.104,2.2,8.12,186.189,20.20,88.88,wD:132.132,156.156,191.193,115.115,46.45,36.36,147.147,4.4,96.96,16.16,26.27,171.173,178.181,(18.44,-12.81,;18.44,-14.35,;17.11,-15.12,;15.77,-14.35,;17.11,-16.66,;18.44,-17.43,;19.77,-16.66,;19.77,-15.12,;21.11,-17.43,;21.11,-18.97,;19.77,-19.74,;19.77,-21.28,;18.44,-18.97,;22.44,-16.66,;23.78,-17.43,;23.78,-18.97,;25.12,-16.66,;26.45,-17.43,;27.78,-16.66,;27.78,-15.12,;29.12,-17.43,;30.45,-16.66,;29.12,-18.97,;27.78,-19.74,;27.79,-21.28,;26.47,-22.06,;25.12,-15.12,;26.45,-14.35,;23.78,-14.35,;15.77,-17.43,;15.77,-18.97,;14.45,-16.67,;13.12,-17.44,;11.78,-16.67,;11.78,-15.13,;10.44,-17.44,;9.11,-16.67,;9.11,-15.13,;7.77,-17.44,;7.77,-18.98,;6.44,-16.67,;5.11,-17.44,;5.11,-18.98,;3.77,-16.67,;3.77,-15.13,;2.44,-17.44,;1.11,-16.67,;1.11,-15.13,;-.23,-14.36,;-1.45,-15.3,;-2.72,-14.42,;-2.28,-12.95,;-.75,-12.91,;-.23,-17.44,;-.23,-18.98,;-1.56,-16.67,;-2.89,-17.44,;-2.89,-18.98,;-4.23,-19.75,;-5.56,-18.98,;-4.23,-21.29,;-4.23,-16.67,;-4.23,-15.13,;-5.57,-17.44,;-6.89,-16.68,;-6.89,-15.14,;-5.56,-14.37,;-8.22,-14.37,;-8.19,-12.85,;-9.48,-12.05,;-9.44,-10.51,;-6.83,-12.11,;-5.52,-12.91,;-6.79,-10.57,;-5.46,-9.8,;-5.46,-8.26,;-4.12,-10.57,;-4.12,-12.11,;-2.79,-9.8,;-2.8,-8.26,;-4.14,-7.5,;-4.15,-5.96,;-5.49,-5.2,;-6.8,-5.98,;-5.49,-3.66,;-1.46,-7.49,;-1.48,-5.95,;-.13,-8.25,;1.2,-7.48,;1.2,-5.94,;2.54,-5.17,;2.54,-3.63,;3.87,-5.94,;2.54,-8.25,;2.54,-9.79,;3.88,-7.48,;5.21,-8.25,;5.21,-9.79,;6.55,-10.56,;6.55,-12.1,;7.88,-9.79,;6.55,-7.48,;6.55,-5.94,;7.88,-8.25,;9.21,-7.48,;9.21,-5.94,;10.55,-5.17,;10.55,-3.63,;11.89,-2.88,;13.22,-3.65,;14.56,-2.88,;13.23,-5.19,;10.55,-8.25,;10.55,-9.79,;11.87,-7.47,;13.21,-8.24,;13.21,-9.78,;14.55,-10.55,;14.55,-12.09,;15.88,-12.86,;13.21,-12.86,;14.55,-7.47,;14.55,-5.93,;15.88,-8.24,;17.21,-7.47,;17.21,-5.93,;18.55,-5.16,;18.55,-3.62,;19.88,-5.93,;18.55,-8.24,;18.55,-9.78,;19.88,-7.47,;21.21,-8.24,;21.21,-9.78,;22.55,-10.55,;22.55,-12.09,;23.89,-12.86,;25.22,-12.09,;26.55,-12.86,;25.22,-10.56,;22.55,-7.47,;22.55,-5.93,;23.88,-8.24,;25.22,-7.49,;25.22,-5.94,;23.89,-5.18,;26.55,-5.18,;26.56,-3.64,;27.9,-2.88,;27.91,-1.34,;29.25,-.58,;29.26,.96,;30.58,-1.36,;25.23,-2.85,;23.89,-3.61,;25.25,-1.31,;23.91,-.54,;23.93,.98,;25.27,1.75,;25.27,3.29,;26.6,.98,;22.58,-1.31,;22.58,-2.85,;21.24,-.54,;19.91,-1.31,;18.58,-.54,;17.25,-1.32,;18.58,1,;19.83,1.91,;19.35,3.37,;17.81,3.37,;17.33,1.91,;16.01,1.12,;16.02,-.42,;14.66,1.87,;14.18,3.33,;12.64,3.33,;12.17,1.87,;13.41,.96,;13.41,-.58,;14.75,-1.35,;12.07,-1.36,;10.74,-.59,;9.4,-1.36,;9.4,-2.9,;8.07,-.59,;6.74,-1.36,;6.74,-2.9,;5.4,-.59,;5.4,.95,;4.08,-1.36,;2.75,-.59,;2.75,.95,;1.41,1.72,;1.41,3.26,;.09,4.03,;-1.25,3.26,;-2.58,4.03,;-1.25,1.72,;1.41,-1.36,;.07,-.59,;1.41,-2.9,)|
Structure:
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