Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50121782
Substrate
n/a
Meas. Tech.
ChEMBL_323054 (CHEMBL857325)
EC50
9.7±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:
BDBM50121782
Synonyms:
CHEMBL410898 | [Ala27]orexin-B
Type:
Small organic molecule
Emp. Form.:
C122H210N44O34S
Mol. Mass.:
2869.312
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)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](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |wU:77.77,72.73,66.66,122.122,54.54,39.39,102.102,2.2,8.12,184.186,21.21,86.86,wD:130.130,154.154,190.192,113.113,44.43,34.34,145.145,4.4,94.94,169.171,176.179,16.16,(18.62,-15.84,;18.62,-17.38,;17.29,-18.15,;15.95,-17.38,;17.29,-19.69,;18.62,-20.46,;19.96,-19.68,;19.96,-18.14,;21.3,-20.45,;21.3,-21.99,;19.96,-22.76,;19.96,-24.3,;18.63,-21.99,;22.63,-19.68,;23.96,-20.46,;23.96,-22,;25.3,-19.69,;25.3,-18.15,;26.63,-20.46,;27.96,-19.68,;27.96,-18.14,;29.3,-20.45,;30.64,-19.68,;29.3,-21.99,;27.96,-22.76,;27.97,-24.3,;26.65,-25.08,;15.95,-20.46,;15.95,-22,;14.63,-19.69,;13.3,-20.46,;11.96,-19.69,;11.96,-18.15,;10.63,-20.46,;9.3,-19.69,;9.3,-18.15,;7.96,-20.46,;7.96,-22,;6.62,-19.69,;5.29,-20.46,;5.29,-22,;3.95,-19.69,;3.95,-18.15,;2.62,-20.46,;1.29,-19.69,;1.29,-18.15,;-.05,-17.39,;-1.27,-18.33,;-2.54,-17.45,;-2.1,-15.98,;-.57,-15.94,;-.05,-20.46,;-.05,-22,;-1.38,-19.69,;-2.71,-20.46,;-2.71,-22,;-4.05,-22.77,;-5.38,-22,;-4.05,-24.31,;-4.05,-19.69,;-4.05,-18.15,;-5.39,-20.46,;-6.71,-19.71,;-6.71,-18.16,;-5.38,-17.4,;-8.04,-17.39,;-8.01,-15.88,;-9.3,-15.07,;-9.26,-13.54,;-6.65,-15.13,;-5.34,-15.94,;-6.61,-13.6,;-5.28,-12.83,;-5.28,-11.29,;-3.94,-13.6,;-3.94,-15.14,;-2.61,-12.83,;-2.62,-11.29,;-3.96,-10.53,;-3.97,-8.98,;-5.31,-8.23,;-6.62,-9.01,;-5.31,-6.68,;-1.28,-10.51,;-1.3,-8.97,;.05,-11.28,;1.38,-10.51,;1.38,-8.97,;2.72,-8.2,;2.72,-6.66,;4.05,-8.97,;2.72,-11.28,;2.72,-12.82,;4.06,-10.51,;5.39,-11.28,;5.39,-12.82,;6.73,-13.59,;6.73,-15.13,;8.06,-12.82,;6.73,-10.51,;6.73,-8.97,;8.06,-11.28,;9.39,-10.51,;9.39,-8.97,;10.73,-8.2,;10.73,-6.66,;12.07,-5.91,;13.41,-6.67,;14.74,-5.9,;13.41,-8.21,;10.73,-11.28,;10.73,-12.82,;12.06,-10.5,;13.39,-11.27,;13.39,-12.81,;14.73,-13.58,;14.73,-15.12,;16.06,-15.89,;13.39,-15.89,;14.73,-10.5,;14.73,-8.96,;16.06,-11.27,;17.39,-10.5,;17.39,-8.96,;18.73,-8.19,;18.73,-6.65,;20.06,-8.96,;18.73,-11.27,;18.73,-12.81,;20.06,-10.5,;21.39,-11.27,;21.39,-12.81,;22.73,-13.58,;22.73,-15.12,;24.07,-15.89,;25.4,-15.12,;26.74,-15.89,;25.41,-13.58,;22.73,-10.5,;22.73,-8.96,;24.07,-11.27,;25.4,-10.52,;25.41,-8.97,;24.07,-8.2,;26.73,-8.2,;26.74,-6.67,;28.08,-5.91,;28.09,-4.36,;29.43,-3.6,;29.45,-2.06,;30.76,-4.39,;25.41,-5.88,;24.07,-6.64,;25.43,-4.34,;24.1,-3.57,;24.11,-2.05,;25.45,-1.28,;25.45,.26,;26.78,-2.05,;22.76,-4.34,;22.76,-5.88,;21.42,-3.57,;20.09,-4.34,;18.77,-3.57,;17.44,-4.35,;18.76,-2.03,;20.01,-1.12,;19.53,.34,;17.99,.34,;17.52,-1.12,;16.19,-1.9,;16.2,-3.44,;14.84,-1.15,;14.37,.31,;12.83,.31,;12.35,-1.15,;13.6,-2.07,;13.6,-3.61,;14.93,-4.38,;12.26,-4.38,;10.93,-3.61,;9.59,-4.38,;9.59,-5.92,;8.25,-3.61,;6.92,-4.38,;6.92,-5.92,;5.58,-6.69,;5.58,-3.61,;5.58,-2.07,;4.26,-4.38,;2.93,-3.61,;2.93,-2.07,;1.59,-1.3,;1.59,.24,;.27,1.01,;-1.07,.24,;-2.4,1.01,;-1.07,-1.3,;1.59,-4.38,;.25,-3.61,;1.59,-5.92,)|
Structure:
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