Reaction Details Report a problem with these data
Target
Melatonin receptor type 1A/1B
Ligand
BDBM50035179
Substrate
n/a
Meas. Tech.
ChEMBL_104925 (CHEMBL714705)
Kd
0.100000±n/a nM
Citation
Depreux, P; Lesieur, D; Mansour, HA; Morgan, P; Howell, HE; Renard, P; Caignard, DH; Pfeiffer, B; Delagrange, P; Guardiola, B Synthesis and structure-activity relationships of novel naphthalenic and bioisosteric related amidic derivatives as melatonin receptor ligands. J Med Chem 37:3231-9 (1994) [PubMed] Article
More Info.:
Target
Name:
Melatonin receptor type 1A/1B
Synonyms:
Melatonin receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 104946
Components:
This complex has 2 components.
Component 1
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:
Human
Description:
P48039
Residue:
350
Sequence:
MQGNGSALPNASQPVLRGDGARPSWLASALACVLIFTIVVDILGNLLVILSVYRNKKLRNAGNIFVVSLAVADLVVAIYPYPLVLMSIFNNGWNLGYLHCQVSGFLMGLSVIGSIFNITGIAINRYCYICHSLKYDKLYSSKNSLCYVLLIWLLTLAAVLPNLRAGTLQYDPRIYSCTFAQSVSSAYTIAVVVFHFLVPMIIVIFCYLRIWILVLQVRQRVKPDRKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLAVASDPASMVPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRKEYRRIIVSLCTARVFFVDSSNDVADRVKWKPSPLMTNNNVVKVDSV
Component 2
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:
Human
Description:
P49286
Residue:
362
Sequence:
MSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNAGNLFLVSLALADLVVAFYPYPLILVAIFYDGWALGEEHCKASAFVMGLSVIGSVFNITAIAINRYCYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLPNFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIWVLVLQARRKAKPESRLCLKPSDLRSFLTMFVVFVIFAICWAPLNCIGLAVAINPQEMAPQIPEGLFVTSYLLAYFNSCLNAIVYGLLNQNFRREYKRILLALWNPRHCIQDASKGSHAEGLQSPAPPIIGVQHQADAL
Inhibitor
Name:
BDBM50035179
Synonyms:
Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide | N-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-acetamide(Agomelatine) | S 20098 | US10781182, Compound IA2-76 | US11091445, Compound code IA2-76 | US11980598, Compound Ago
Type:
Small organic molecule
Emp. Form.:
C15H17NO2
Mol. Mass.:
243.301
SMILES:
COc1ccc2cccc(CCNC(C)=O)c2c1