Reaction Details  Report a problem with these data
Target
Melatonin receptor type 1A
Ligand
BDBM50551214
Substrate
n/a
Meas. Tech.
ChEMBL_2030737 (CHEMBL4684895)
Ki
22±n/a nM
Citation
 Bolteau, R; Descamps, F; Ettaoussi, M; Caignard, DH; Delagrange, P; Melnyk, P; Yous, S Quinazoline and phthalazine derivatives as novel melatonin receptor ligands analogues of agomelatine. Eur J Med Chem 189:0 (2020) [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:
BDBM50551214
Synonyms:
CHEMBL4790145
Type:
Small organic molecule
Emp. Form.:
C16H19N3O2
Mol. Mass.:
285.341
SMILES:
COc1ccc2nc(nc(CCNC(C)=O)c2c1)C1CC1
Structure:
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