Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121762
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
2.2±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:
BDBM50121762
Synonyms:
CHEMBL442503 | [Ala15]orexin-B
Type:
Small organic molecule
Emp. Form.:
C120H206N44O35S
Mol. Mass.:
2857.258
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](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:79.79,74.75,68.68,121.121,56.56,41.41,101.101,2.2,8.12,183.185,20.20,88.89,wD:129.129,153.153,189.191,46.45,112.112,36.36,144.144,4.4,16.16,26.27,93.93,168.170,175.178,(17.4,-18.13,;17.4,-19.67,;16.07,-20.44,;14.73,-19.67,;16.07,-21.98,;17.4,-22.75,;18.73,-21.98,;18.73,-20.44,;20.07,-22.75,;20.07,-24.29,;18.73,-25.06,;18.73,-26.6,;17.4,-24.29,;21.4,-21.98,;22.74,-22.75,;22.74,-24.29,;24.08,-21.98,;25.41,-22.75,;26.74,-21.98,;26.74,-20.44,;28.08,-22.75,;29.41,-21.98,;28.08,-24.29,;26.74,-25.06,;26.75,-26.6,;25.43,-27.37,;24.08,-20.44,;25.41,-19.67,;22.74,-19.67,;14.73,-22.75,;14.73,-24.29,;13.41,-21.98,;12.08,-22.76,;10.74,-21.98,;10.74,-20.45,;9.4,-22.76,;8.07,-21.99,;8.07,-20.45,;6.73,-22.76,;6.73,-24.3,;5.4,-21.98,;4.07,-22.76,;4.07,-24.29,;2.73,-21.98,;2.73,-20.45,;1.4,-22.76,;.07,-21.99,;.07,-20.45,;-1.27,-19.68,;-2.49,-20.62,;-3.76,-19.74,;-3.33,-18.27,;-1.79,-18.23,;-1.27,-22.76,;-1.27,-24.3,;-2.61,-21.98,;-3.94,-22.76,;-3.94,-24.29,;-5.28,-25.06,;-6.61,-24.29,;-5.28,-26.6,;-5.28,-21.98,;-5.28,-20.45,;-6.61,-22.76,;-7.93,-22,;-7.93,-20.46,;-6.6,-19.69,;-9.27,-19.68,;-9.23,-18.17,;-10.53,-17.36,;-10.49,-15.83,;-7.87,-17.43,;-6.56,-18.23,;-7.84,-15.89,;-6.5,-15.12,;-6.5,-13.58,;-5.17,-15.89,;-5.17,-17.43,;-3.83,-15.12,;-3.85,-13.58,;-5.19,-12.82,;-5.19,-11.28,;-6.53,-10.52,;-7.84,-11.3,;-6.54,-8.97,;-2.5,-12.8,;-2.52,-11.26,;-1.17,-13.57,;.16,-12.8,;.16,-11.26,;1.5,-13.57,;1.5,-15.11,;2.83,-12.8,;4.17,-13.57,;4.17,-15.11,;5.5,-15.88,;5.5,-17.42,;6.84,-15.11,;5.5,-12.8,;5.5,-11.26,;6.84,-13.57,;8.17,-12.8,;8.17,-11.26,;9.51,-10.49,;9.51,-8.95,;10.85,-8.2,;12.18,-8.97,;13.52,-8.2,;12.18,-10.5,;9.51,-13.57,;9.51,-15.11,;10.83,-12.79,;12.16,-13.56,;12.16,-15.1,;13.5,-15.87,;13.5,-17.41,;14.83,-18.18,;12.16,-18.18,;13.5,-12.79,;13.5,-11.25,;14.84,-13.56,;16.17,-12.79,;16.17,-11.25,;17.51,-10.48,;17.51,-8.94,;18.84,-11.25,;17.51,-13.56,;17.51,-15.1,;18.84,-12.79,;20.17,-13.56,;20.17,-15.1,;21.51,-15.87,;21.51,-17.41,;22.85,-18.18,;24.18,-17.41,;25.51,-18.18,;24.18,-15.87,;21.51,-12.79,;21.51,-11.25,;22.84,-13.56,;24.18,-12.81,;24.18,-11.26,;22.85,-10.49,;25.51,-10.49,;25.52,-8.96,;26.86,-8.2,;26.87,-6.65,;28.21,-5.89,;28.22,-4.36,;29.54,-6.68,;24.19,-8.17,;22.85,-8.93,;24.21,-6.63,;22.87,-5.86,;22.89,-4.34,;24.23,-3.57,;24.23,-2.03,;25.56,-4.34,;21.53,-6.63,;21.53,-8.17,;20.2,-5.86,;18.87,-6.63,;17.54,-5.86,;16.21,-6.64,;17.54,-4.32,;18.79,-3.41,;18.31,-1.95,;16.77,-1.95,;16.29,-3.41,;14.96,-4.19,;14.98,-5.73,;13.62,-3.44,;13.14,-1.98,;11.6,-1.98,;11.13,-3.44,;12.37,-4.36,;12.37,-5.9,;13.71,-6.67,;11.03,-6.68,;9.7,-5.91,;8.36,-6.68,;8.36,-8.22,;7.03,-5.91,;5.7,-6.68,;5.7,-8.22,;4.36,-8.99,;4.36,-5.91,;4.36,-4.37,;3.03,-6.68,;1.7,-5.91,;1.7,-4.37,;.36,-3.6,;.36,-2.06,;-.95,-1.29,;-2.29,-2.05,;-3.62,-1.28,;-2.29,-3.59,;.36,-6.68,;-.97,-5.9,;.36,-8.22,)|
Structure:
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