Reaction Details  Report a problem with these data
Target
Melatonin receptor type 1B
Ligand
BDBM50086029
Substrate
n/a
Meas. Tech.
ChEMBL_1824701 (CHEMBL4324465)
Ki
0.200000±n/a nM
Citation
 Wang, SY; Shi, XC; Laborda, P Indole-based melatonin analogues: Synthetic approaches and biological activity. Eur J Med Chem 185:0 (2020) [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:
BDBM50086029
Synonyms:
CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[2,1-a]isoquinolin-12-yl)-ethyl]-butyramide
Type:
Small organic molecule
Emp. Form.:
C23H26N2O2
Mol. Mass.:
362.4647
SMILES:
CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Structure:
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