Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50164453
Substrate
n/a
Meas. Tech.
ChEMBL_303530 (CHEMBL839644)
Ki
15±n/a nM
Citation
 López-Rodríguez, ML; Tejada, I; Morcillo, MJ; Fernández, E; Benhamú, B; Tejada, I; Ayala, D; Viso, A; Pardo, L; Manzanares, J Synthesis and structure-activity relationships of a new model of arylpiperazines. 8. Computational simulation of ligand-receptor interaction of 5-HT(1A)R agonists with selectivity over alpha1-adrenoceptors. J Med Chem 48:2548-2558 (2005) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT-1A | 5-HT1 | 5-HT1A | 5-Hydroxytryptamine receptor 1A (5-HT1A) | 5-hydroxytryptamine receptor 1A (5HT1A) | 5HT1A_RAT | 5ht1a | G-21 | Htr1a | Serotonin 1 (5-HT1) receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | Serotonin receptor 1A
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46445.29
Organism:
Rattus norvegicus (rat)
Description:
Binding assays were performed using rat hippocampal membranes.
Residue:
422
Sequence:
MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
  
Inhibitor
Name:
BDBM50164453
Synonyms:
(S)-2-[4-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-yl)-butyl]-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione | CHEMBL190284
Type:
Small organic molecule
Emp. Form.:
C26H34N4O2
Mol. Mass.:
434.5738
SMILES:
C[C@H]1CN(CCN1CCCCN1CC(=O)N2CCCC2C1=O)c1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: