Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121801
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
67±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:
BDBM50121801
Synonyms:
CHEMBL264482 | [D-Ala24]orexin-B
Type:
Small organic molecule
Emp. Form.:
C124H214N44O35S
Mol. Mass.:
2913.365
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)N[C@H](C)C(=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](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |wU:80.80,75.76,69.69,125.125,57.57,42.42,105.105,2.2,8.12,187.189,20.20,89.89,wD:133.133,157.157,193.195,116.116,47.46,148.148,4.4,97.97,16.16,26.27,172.174,179.182,37.37,32.32,(17.88,-16.51,;17.88,-18.05,;16.55,-18.82,;15.21,-18.05,;16.55,-20.36,;17.88,-21.12,;19.21,-20.35,;19.21,-18.81,;20.55,-21.12,;20.55,-22.66,;19.21,-23.43,;19.21,-24.97,;17.88,-22.66,;21.88,-20.35,;23.22,-21.12,;23.22,-22.66,;24.56,-20.36,;25.89,-21.12,;27.22,-20.35,;27.22,-18.81,;28.56,-21.12,;29.89,-20.35,;28.56,-22.66,;27.22,-23.43,;27.23,-24.97,;25.91,-25.75,;24.56,-18.82,;25.89,-18.05,;23.22,-18.05,;15.21,-21.12,;15.21,-22.66,;13.89,-20.36,;12.56,-21.13,;12.56,-22.67,;11.22,-20.36,;11.22,-18.82,;9.88,-21.13,;8.55,-20.36,;8.55,-18.82,;7.21,-21.13,;7.21,-22.67,;5.88,-20.36,;4.55,-21.13,;4.55,-22.67,;3.21,-20.36,;3.21,-18.82,;1.88,-21.13,;.55,-20.36,;.55,-18.82,;-.79,-18.06,;-2.01,-18.99,;-3.28,-18.12,;-2.85,-16.65,;-1.31,-16.6,;-.79,-21.13,;-.79,-22.67,;-2.13,-20.36,;-3.46,-21.13,;-3.46,-22.67,;-4.8,-23.44,;-6.13,-22.67,;-4.8,-24.98,;-4.8,-20.36,;-4.8,-18.82,;-6.13,-21.13,;-7.45,-20.38,;-7.45,-18.83,;-6.12,-18.07,;-8.79,-18.06,;-8.75,-16.55,;-10.05,-15.74,;-10,-14.21,;-7.39,-15.8,;-6.08,-16.61,;-7.36,-14.27,;-6.02,-13.5,;-6.02,-11.96,;-4.68,-14.27,;-4.68,-15.81,;-3.35,-13.5,;-3.37,-11.96,;-4.71,-11.2,;-4.71,-9.65,;-6.05,-8.9,;-7.36,-9.68,;-6.05,-7.35,;-2.02,-11.18,;-2.04,-9.64,;-.69,-11.95,;.64,-11.18,;.64,-9.64,;1.98,-8.87,;1.98,-7.33,;3.31,-9.64,;1.98,-11.95,;1.98,-13.49,;3.31,-11.18,;4.64,-11.95,;4.64,-13.49,;5.98,-14.26,;5.98,-15.8,;7.31,-13.49,;5.98,-11.18,;5.98,-9.64,;7.32,-11.95,;8.65,-11.18,;8.65,-9.64,;9.99,-8.87,;9.99,-7.33,;11.33,-6.58,;12.66,-7.34,;13.99,-6.57,;12.66,-8.88,;9.99,-11.95,;9.99,-13.49,;11.31,-11.17,;12.64,-11.94,;12.64,-13.48,;13.98,-14.25,;13.98,-15.79,;15.31,-16.56,;12.64,-16.56,;13.98,-11.17,;13.98,-9.63,;15.32,-11.94,;16.65,-11.17,;16.65,-9.63,;17.99,-8.86,;17.99,-7.32,;19.32,-9.63,;17.99,-11.94,;17.99,-13.48,;19.32,-11.17,;20.65,-11.94,;20.65,-13.48,;21.99,-14.25,;21.99,-15.79,;23.33,-16.56,;24.66,-15.79,;25.99,-16.56,;24.66,-14.25,;21.99,-11.17,;21.99,-9.63,;23.32,-11.94,;24.66,-11.19,;24.66,-9.64,;23.33,-8.87,;25.99,-8.87,;26,-7.34,;27.34,-6.58,;27.35,-5.03,;28.69,-4.27,;28.7,-2.73,;30.02,-5.06,;24.67,-6.55,;23.33,-7.31,;24.68,-5.01,;23.35,-4.24,;23.37,-2.72,;24.71,-1.95,;24.71,-.41,;26.04,-2.72,;22.01,-5.01,;22.01,-6.55,;20.68,-4.24,;19.35,-5.01,;18.02,-4.24,;16.69,-5.02,;18.02,-2.7,;19.27,-1.79,;18.79,-.33,;17.25,-.33,;16.77,-1.79,;15.44,-2.57,;15.46,-4.11,;14.1,-1.82,;13.62,-.36,;12.08,-.36,;11.61,-1.82,;12.85,-2.74,;12.85,-4.28,;14.19,-5.05,;11.51,-5.05,;10.18,-4.28,;8.84,-5.05,;8.84,-6.59,;7.51,-4.28,;6.18,-5.05,;6.18,-6.59,;4.84,-7.36,;4.84,-4.28,;4.84,-2.74,;3.51,-5.05,;2.18,-4.28,;2.18,-2.74,;.84,-1.97,;.84,-.43,;-.47,.34,;-1.81,-.43,;-3.14,.34,;-1.81,-1.97,;.84,-5.05,;-.49,-4.28,;.84,-6.59,)|
Structure:
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