Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50078561
Substrate
n/a
Meas. Tech.
ChEBML_201028
Ki
27±n/a nM
Citation
 López-Rodríguez, MLMorcillo, MJFernández, ERosado, MLOrensanz, LBeneytez, MEManzanares, JFuentes, JASchaper, KJ Design and synthesis of 2-[4-[4-(m-(ethylsulfonamido)-phenyl) piperazin-1-yl]butyl]-1,3-dioxoperhydropyrrolo[1,2-c]imidazole (EF-7412) using neural networks. A selective derivative with mixed 5-HT1A/D2 antagonist properties. Bioorg Med Chem Lett 9:1679-82 (1999) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT1A | 5-hydroxytryptamine receptor 1A | 5-hydroxytryptamine receptor 1A (5HT1A) | 5HT1A_MOUSE | Gpcr18 | Htr1a | Serotonin 1a (5-HT1a) receptor
Type:
Enzyme
Mol. Mass.:
46192.09
Organism:
Mus musculus (Mouse)
Description:
Q64264
Residue:
421
Sequence:
MDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
  
Inhibitor
Name:
BDBM50078561
Synonyms:
CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide | Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide (EF-7412)
Type:
Small organic molecule
Emp. Form.:
C22H33N5O4S
Mol. Mass.:
463.594
SMILES:
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Structure:
Search PDB for entries with ligand similarity: