Reaction Details Report a problem with these data
Target
Orexin receptor type 2
Ligand
BDBM50561747
Substrate
n/a
Meas. Tech.
ChEMBL_2075819 (CHEMBL4731353)
IC50
0.230000±n/a nM
Citation
 Sabnis, RW Novel 5-Alkyl Pyrrolidine Orexin Receptor Agonists for Treating Sleep Disorders. ACS Med Chem Lett 11:2085-2086 (2020) [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:
BDBM50561747
Synonyms:
CHEMBL4740509
Type:
Small organic molecule
Emp. Form.:
C21H31F2N3O5S
Mol. Mass.:
475.55
SMILES:
COC(=O)N1[C@H](C)C[C@H](NS(=O)(=O)NCF)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:22.26,19.19,16.17,8.8,5.5,(39.66,-14.61,;39.34,-13.1,;40.49,-12.08,;41.95,-12.55,;40.17,-10.57,;41.2,-9.43,;42.74,-9.59,;40.44,-8.09,;38.93,-8.41,;37.79,-7.37,;38.11,-5.86,;39.2,-4.77,;39.6,-6.26,;36.97,-4.84,;37.29,-3.33,;38.76,-2.86,;38.77,-9.94,;37.43,-10.71,;36.1,-9.94,;34.76,-10.7,;34.76,-12.24,;33.44,-13,;32.11,-12.24,;32.11,-10.7,;33.44,-9.92,;30.78,-13.01,;30.78,-14.55,;29.45,-15.32,;28.11,-14.56,;28.11,-13.01,;26.77,-12.25,;29.44,-12.24,)|
Structure:
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