Reaction Details Report a problem with these data
Target
Melatonin receptor type 1A
Ligand
BDBM50096971
Substrate
n/a
Meas. Tech.
ChEMBL_1499384 (CHEMBL3583713)
Ki
>1000±n/a nM
Citation
 de la Fuente Revenga, M; Fernández-Sáez, N; Herrera-Arozamena, C; Morales-García, JA; Alonso-Gil, S; Pérez-Castillo, A; Caignard, DH; Rivara, S; Rodríguez-Franco, MI Novel N-Acetyl Bioisosteres of Melatonin: Melatonergic Receptor Pharmacology, Physicochemical Studies, and Phenotypic Assessment of Their Neurogenic Potential. J Med Chem 58:4998-5014 (2015) [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:
BDBM50096971
Synonyms:
CHEMBL3580926
Type:
Small organic molecule
Emp. Form.:
C14H16N4OS
Mol. Mass.:
288.368
SMILES:
CCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1
Structure:
Search PDB for entries with ligand similarity: