Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1D
Ligand
BDBM50356277
Substrate
n/a
Meas. Tech.
ChEMBL_774992 (CHEMBL1912147)
Ki
44±n/a nM
Citation
 Ghoneim, OM; Ibrahim, DA; El-Deeb, IM; Lee, SH; Booth, RG A novel potential therapeutic avenue for autism: design, synthesis and pharmacophore generation of SSRIs with dual action. Bioorg Med Chem Lett 21:6714-23 (2011) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1D
Synonyms:
5-HT-1D | 5-HT-1D-alpha | 5-HT1D | 5-hydroxytryptamine receptor 1D (5-HT1D) | 5HT1D_HUMAN | HTR1D | HTR1DA | HTRL | Serotonin (5-HT) receptor | Serotonin Receptor 1D
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
41920.63
Organism:
Homo sapiens (Human)
Description:
Receptor binding assays were performed using human clone stably expressed in CHO cells.
Residue:
377
Sequence:
MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
  
Inhibitor
Name:
BDBM50356277
Synonyms:
CHEMBL1910792
Type:
Small organic molecule
Emp. Form.:
C28H29Cl2N5O3
Mol. Mass.:
554.468
SMILES:
COc1ccc(NC(=O)c2ccc3N(CC(=O)N(C)c3c2)c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1
Structure:
Search PDB for entries with ligand similarity: