Reaction Details  Report a problem with these data
Target
Melatonin receptor type 1B
Ligand
BDBM50266454
Substrate
n/a
Meas. Tech.
ChEMBL_517311 (CHEMBL1031364)
Ki
118±n/a nM
Citation
 Zlotos, DP; Attia, MI; Julius, J; Sethi, S; Witt-Enderby, PA 2-[(2,3-dihydro-1H-indol-1-yl)methyl]melatonin analogues: a novel class of MT2-selective melatonin receptor antagonists. J Med Chem 52:826-33 (2009) [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:
BDBM50266454
Synonyms:
CHEMBL456505 | N-(2-{2-[(6-Amino-2,3-dihydro-1H-indol-1yl)methyl]-5-methoxy-1Hindole-3-yl }ethyl)acetamide
Type:
Small organic molecule
Emp. Form.:
C22H26N4O2
Mol. Mass.:
378.4674
SMILES:
COc1ccc2[nH]c(CN3CCc4ccc(N)cc34)c(CCNC(C)=O)c2c1
Structure:
Search PDB for entries with ligand similarity: