Reaction Details  Report a problem with these data
Target
Melatonin receptor type 1B
Ligand
BDBM50086016
Substrate
n/a
Meas. Tech.
ChEMBL_105265 (CHEMBL872558)
Ki
117±n/a nM
Citation
 Faust, R; Garratt, PJ; Jones, R; Yeh, LK; Tsotinis, A; Panoussopoulou, M; Calogeropoulou, T; Teh, MT; Sugden, D Mapping the melatonin receptor. 6. Melatonin agonists and antagonists derived from 6H-isoindolo[2,1-a]indoles, 5,6-dihydroindolo[2,1-a]isoquinolines, and 6,7-dihydro-5H-benzo[c]azepino[2,1-a]indoles. J Med Chem 43:1050-61 (2000) [PubMed]
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:
BDBM50086016
Synonyms:
CHEMBL274995 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C23H26N2O2
Mol. Mass.:
362.4647
SMILES:
CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1
Structure:
Search PDB for entries with ligand similarity: