Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121765
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.13±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:
BDBM50121765
Synonyms:
CHEMBL437464 | [Ala13]orexin-B
Type:
Small organic molecule
Emp. Form.:
C120H205N41O35S
Mol. Mass.:
2814.23
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](C)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:79.79,74.75,68.68,118.118,56.56,41.41,104.105,2.2,8.12,180.182,88.88,20.20,wD:126.126,150.150,46.45,186.188,109.109,36.36,4.4,141.141,96.96,16.16,26.27,165.167,172.175,(18.41,-20.06,;18.41,-21.6,;17.08,-22.37,;15.74,-21.6,;17.08,-23.91,;18.41,-24.68,;19.74,-23.91,;19.74,-22.37,;21.08,-24.68,;21.08,-26.22,;19.74,-26.99,;19.74,-28.53,;18.41,-26.22,;22.41,-23.91,;23.74,-24.68,;23.74,-26.22,;25.08,-23.91,;26.41,-24.68,;27.75,-23.91,;27.75,-22.37,;29.09,-24.68,;30.42,-23.91,;29.09,-26.22,;27.75,-26.99,;27.76,-28.53,;26.43,-29.3,;25.08,-22.37,;26.41,-21.6,;23.74,-21.6,;15.74,-24.68,;15.74,-26.22,;14.41,-23.91,;13.08,-24.68,;11.74,-23.91,;11.74,-22.37,;10.41,-24.69,;9.08,-23.92,;9.08,-22.38,;7.74,-24.69,;7.74,-26.23,;6.41,-23.91,;5.08,-24.68,;5.08,-26.22,;3.74,-23.91,;3.74,-22.37,;2.4,-24.69,;1.07,-23.92,;1.07,-22.38,;-.27,-21.61,;-1.49,-22.55,;-2.76,-21.67,;-2.32,-20.2,;-.78,-20.16,;-.27,-24.69,;-.27,-26.23,;-1.6,-23.91,;-2.93,-24.68,;-2.93,-26.22,;-4.27,-26.99,;-5.6,-26.22,;-4.27,-28.53,;-4.27,-23.91,;-4.27,-22.37,;-5.6,-24.69,;-6.93,-23.93,;-6.93,-22.39,;-5.59,-21.62,;-8.26,-21.61,;-8.23,-20.1,;-9.52,-19.29,;-9.48,-17.76,;-6.87,-19.36,;-5.56,-20.16,;-6.83,-17.82,;-5.5,-17.05,;-5.5,-15.51,;-4.16,-17.82,;-4.16,-19.36,;-2.83,-17.05,;-2.84,-15.51,;-4.18,-14.75,;-4.19,-13.2,;-5.52,-12.45,;-6.84,-13.23,;-5.53,-10.9,;-1.5,-14.73,;-1.52,-13.19,;-.16,-15.5,;1.17,-14.73,;1.17,-13.19,;2.51,-12.42,;2.51,-10.88,;3.84,-13.19,;2.51,-15.5,;2.51,-17.04,;3.84,-14.73,;5.17,-15.5,;5.17,-17.04,;6.51,-17.81,;6.51,-19.35,;7.84,-17.04,;6.51,-14.73,;6.51,-13.19,;7.84,-15.5,;9.17,-14.73,;9.17,-13.19,;10.51,-15.5,;10.51,-17.04,;11.84,-14.72,;13.17,-15.49,;13.17,-17.03,;14.51,-17.8,;14.51,-19.34,;15.84,-20.11,;13.17,-20.11,;14.51,-14.72,;14.51,-13.18,;15.84,-15.49,;17.17,-14.72,;17.17,-13.18,;18.51,-12.41,;18.51,-10.87,;19.84,-13.18,;18.51,-15.49,;18.51,-17.03,;19.85,-14.72,;21.18,-15.49,;21.18,-17.03,;22.52,-17.8,;22.52,-19.34,;23.85,-20.11,;25.19,-19.34,;26.52,-20.11,;25.19,-17.8,;22.52,-14.72,;22.52,-13.18,;23.85,-15.49,;25.19,-14.74,;25.19,-13.19,;23.85,-12.42,;26.51,-12.42,;26.53,-10.89,;27.87,-10.13,;27.88,-8.58,;29.22,-7.82,;29.23,-6.29,;30.55,-8.61,;25.2,-10.1,;23.86,-10.86,;25.21,-8.56,;23.88,-7.79,;23.89,-6.27,;25.23,-5.5,;25.23,-3.96,;26.56,-6.27,;22.54,-8.56,;22.54,-10.1,;21.21,-7.79,;19.88,-8.56,;18.55,-7.79,;17.22,-8.57,;18.55,-6.25,;19.79,-5.34,;19.32,-3.88,;17.78,-3.88,;17.3,-5.34,;15.97,-6.12,;15.99,-7.66,;14.63,-5.37,;14.15,-3.91,;12.61,-3.91,;12.13,-5.37,;13.38,-6.29,;13.38,-7.83,;14.71,-8.6,;12.04,-8.61,;10.71,-7.84,;9.37,-8.61,;9.37,-10.15,;8.03,-7.84,;6.7,-8.61,;6.7,-10.15,;5.36,-10.92,;5.36,-7.84,;5.36,-6.3,;4.04,-8.61,;2.71,-7.84,;2.71,-6.3,;1.37,-5.53,;1.37,-3.99,;.05,-3.22,;-1.28,-3.98,;-2.62,-3.21,;-1.29,-5.52,;1.37,-8.61,;.04,-7.83,;1.37,-10.15,)|
Structure:
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