Reaction Details Report a problem with these data
Target
Melatonin receptor type 1B
Ligand
BDBM50155731
Substrate
n/a
Meas. Tech.
ChEMBL_305097 (CHEMBL832401)
IC50
810±n/a nM
Citation
 Karageorge, GN; Bertenshaw, S; Iben, L; Xu, C; Sarbin, N; Gentile, A; Dubowchik, GM Tetrahydroisoquinoline derivatives as melatonin MT2 receptor antagonists. Bioorg Med Chem Lett 14:5881-4 (2004) [PubMed]  Article 
Target
Name:
Melatonin receptor type 1B
Synonyms:
MTNR1B | MTR1B_HUMAN | Mel-1B-R | Mel1b melatonin receptor | Melatonin 1B | Melatonin receptor | Melatonin receptor type 1B | Melatonin receptor type 2 (MT2)
Type:
Enzyme
Mol. Mass.:
40203.54
Organism:
Homo sapiens (Human)
Description:
P49286
Residue:
362
Sequence:
MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
  
Inhibitor
Name:
BDBM50155731
Synonyms:
CHEMBL359576 | [1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-trifluoromethyl-phenyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C33H30F3NO3
Mol. Mass.:
545.5914
SMILES:
COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(=O)c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: