Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50131359
Substrate
n/a
Meas. Tech.
ChEMBL_303448 (CHEMBL839708)
Ki
>1000±n/a nM
Citation
 Andrés, JI; Alcázar, J; Alonso, JM; Alvarez, RM; Bakker, MH; Biesmans, I; Cid, JM; De Lucas, AI; Fernández, J; Font, LM; Hens, KA; Iturrino, L; Lenaerts, I; Martínez, S; Megens, AA; Pastor, J; Vermote, PC; Steckler, T Discovery of a new series of centrally active tricyclic isoxazoles combining serotonin (5-HT) reuptake inhibition with alpha2-adrenoceptor blocking activity. J Med Chem 48:2054-71 (2005) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT-1A | 5-HT1A | 5-hydroxytryptamine receptor 1A (5-HT-1A) | 5HT1A_HUMAN | ADRB2RL1 | ADRBRL1 | Dopamine D2 receptor and serotonin 1a receptor | G-21 | HTR1A | Serotonin receptor 1A
Type:
n/a
Mol. Mass.:
46122.49
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
422
Sequence:
MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
  
Inhibitor
Name:
BDBM50131359
Synonyms:
(3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole | (3R,3aS)-7,8-Dimethoxy-3-[4-(3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole | CHEMBL328114
Type:
Small organic molecule
Emp. Form.:
C26H31N3O4
Mol. Mass.:
449.542
SMILES:
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
Structure:
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