Reaction Details  Report a problem with these data
Target
Melatonin receptor type 1A
Ligand
BDBM50266453
Substrate
n/a
Meas. Tech.
ChEMBL_517310 (CHEMBL1031363)
Ki
309±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 1A
Synonyms:
MTNR1A | MTNR1A protein | MTR1A_HUMAN | Mel-1A-R | Mel1a melatonin receptor | Melatonin 1A | Melatonin receptor | Melatonin receptor 1A | Melatonin receptor type 1 (MT1) | Melatonin receptor type 1A
Type:
Enzyme
Mol. Mass.:
39392.94
Organism:
Homo sapiens (Human)
Description:
P48039
Residue:
350
Sequence:
MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
  
Inhibitor
Name:
BDBM50266453
Synonyms:
CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dihydro-1H-indol-1yl)methyl)]-1H-indole-3-yl}ethyl) acetamide
Type:
Small organic molecule
Emp. Form.:
C22H24N4O4
Mol. Mass.:
408.4504
SMILES:
COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1
Structure:
Search PDB for entries with ligand similarity: