Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121770
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
0.065±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:
BDBM50121770
Synonyms:
CHEMBL413504 | [Ala14]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](CC(C)C)C(=O)N[C@@H](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:79.79,74.75,68.68,121.121,56.56,41.41,101.101,2.2,8.12,183.185,20.20,88.88,wD:129.129,153.153,189.191,46.45,112.112,36.36,144.144,4.4,16.16,26.27,96.97,168.170,175.178,(18.08,-20.04,;18.08,-21.58,;16.75,-22.35,;15.41,-21.58,;16.75,-23.89,;18.08,-24.66,;19.41,-23.89,;19.41,-22.35,;20.75,-24.66,;20.75,-26.2,;19.41,-26.97,;19.41,-28.51,;18.08,-26.2,;22.08,-23.89,;23.41,-24.66,;23.41,-26.2,;24.75,-23.89,;26.08,-24.66,;27.42,-23.89,;27.42,-22.35,;28.76,-24.66,;30.09,-23.89,;28.76,-26.2,;27.42,-26.97,;27.43,-28.51,;26.1,-29.28,;24.75,-22.35,;26.08,-21.58,;23.41,-21.58,;15.41,-24.66,;15.41,-26.2,;14.09,-23.9,;12.75,-24.66,;11.42,-23.9,;11.42,-22.36,;10.08,-24.67,;8.75,-23.9,;8.75,-22.36,;7.41,-24.67,;7.41,-26.21,;6.08,-23.9,;4.75,-24.66,;4.75,-26.2,;3.41,-23.9,;3.41,-22.36,;2.08,-24.67,;.75,-23.9,;.75,-22.36,;-.59,-21.59,;-1.81,-22.53,;-3.08,-21.65,;-2.65,-20.18,;-1.11,-20.14,;-.59,-24.67,;-.59,-26.21,;-1.93,-23.9,;-3.26,-24.66,;-3.26,-26.2,;-4.6,-26.97,;-5.93,-26.2,;-4.6,-28.51,;-4.6,-23.9,;-4.6,-22.36,;-5.93,-24.67,;-7.25,-23.91,;-7.25,-22.37,;-5.92,-21.6,;-8.59,-21.59,;-8.55,-20.08,;-9.85,-19.27,;-9.81,-17.74,;-7.19,-19.34,;-5.88,-20.14,;-7.16,-17.8,;-5.83,-17.03,;-5.83,-15.49,;-4.49,-17.8,;-4.49,-19.34,;-3.15,-17.03,;-3.17,-15.49,;-4.51,-14.73,;-4.52,-13.19,;-5.85,-12.43,;-7.16,-13.21,;-5.86,-10.88,;-1.82,-14.72,;-1.84,-13.18,;-.49,-15.48,;.84,-14.71,;.84,-13.17,;2.18,-12.4,;2.18,-10.86,;3.51,-13.17,;2.18,-15.48,;2.18,-17.02,;3.51,-14.71,;4.84,-15.48,;4.84,-17.02,;6.18,-14.71,;6.18,-13.17,;7.52,-15.48,;8.85,-14.71,;8.85,-13.17,;10.19,-12.4,;10.19,-10.86,;11.53,-10.11,;12.86,-10.88,;14.19,-10.11,;12.86,-12.42,;10.19,-15.48,;10.19,-17.02,;11.51,-14.7,;12.84,-15.47,;12.84,-17.01,;14.18,-17.78,;14.18,-19.32,;15.51,-20.09,;12.84,-20.09,;14.18,-14.7,;14.18,-13.16,;15.52,-15.47,;16.85,-14.7,;16.85,-13.16,;18.19,-12.39,;18.19,-10.85,;19.52,-13.16,;18.19,-15.47,;18.19,-17.01,;19.52,-14.7,;20.85,-15.47,;20.85,-17.01,;22.19,-17.78,;22.19,-19.32,;23.53,-20.09,;24.86,-19.32,;26.19,-20.09,;24.86,-17.78,;22.19,-14.7,;22.19,-13.16,;23.52,-15.47,;24.86,-14.72,;24.86,-13.17,;23.53,-12.4,;26.19,-12.4,;26.2,-10.87,;27.54,-10.11,;27.55,-8.56,;28.89,-7.8,;28.9,-6.27,;30.22,-8.59,;24.87,-10.08,;23.53,-10.84,;24.88,-8.54,;23.55,-7.77,;23.57,-6.25,;24.91,-5.48,;24.91,-3.94,;26.24,-6.25,;22.21,-8.54,;22.21,-10.08,;20.88,-7.77,;19.55,-8.54,;18.22,-7.77,;16.89,-8.55,;18.22,-6.23,;19.46,-5.32,;18.99,-3.86,;17.45,-3.86,;16.97,-5.32,;15.64,-6.1,;15.66,-7.64,;14.3,-5.36,;13.82,-3.89,;12.28,-3.89,;11.81,-5.36,;13.05,-6.27,;13.05,-7.81,;14.39,-8.58,;11.71,-8.59,;10.38,-7.82,;9.04,-8.59,;9.04,-10.13,;7.71,-7.82,;6.38,-8.59,;6.38,-10.13,;5.04,-10.9,;5.04,-7.82,;5.04,-6.28,;3.71,-8.59,;2.38,-7.82,;2.38,-6.28,;1.04,-5.51,;1.04,-3.97,;-.27,-3.2,;-1.61,-3.97,;-2.94,-3.2,;-1.61,-5.5,;1.04,-8.59,;-.29,-7.82,;1.04,-10.13,)|
Structure:
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