Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50130170
Substrate
n/a
Meas. Tech.
ChEBML_926
Ki
16±n/a nM
Citation
 Takeuchi, K; Kohn, TJ; Honigschmidt, NA; Rocco, VP; Spinazze, PG; Atkinson, ST; Hertel, LW; Nelson, DL; Wainscott, DB; Ahmad, LJ; Shaw, J; Threlkeld, PG; Wong, DT Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3. Bioorg Med Chem Lett 13:3939-42 (2003) [PubMed]
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:
BDBM50130170
Synonyms:
(S)-1-(1H-Indol-4-yloxy)-3-[(1R,3S,5S)-3-(4-methoxy-benzo[b]thiophen-2-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propan-2-ol | (endo)-1-(1H-Indol-4-yloxy)-3-[3-(4-methoxy-benzo[b]thiophen-2-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propan-2-ol | (exo)-1-(1H-Indol-4-yloxy)-3-[3-(4-methoxy-benzo[b]thiophen-2-yl)-8-aza-bicyclo[3.2.1]oct-8-yl]-propan-2-ol | CHEMBL421328
Type:
Small organic molecule
Emp. Form.:
C27H30N2O3S
Mol. Mass.:
462.604
SMILES:
COc1cccc2sc(cc12)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H](O)COc1cccc2[nH]ccc12 |THB:19:18:11.17.12:14.15|
Structure:
Search PDB for entries with ligand similarity: