Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50516857
Substrate
n/a
Meas. Tech.
ChEMBL_1867020 (CHEMBL4367995)
Ki
28±n/a nM
Citation
 ?lifirski, G; Król, M; Kleps, J; Podsadni, P; Belka, M; B?czek, T; Siwek, A; Stachowicz, K; Szewczyk, B; Nowak, G; Bojarski, A; Kozio?, AE; Tur?o, J; Herold, F Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT Eur J Med Chem 180:383-397 (2019) [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:
Human
Description:
n/a
Residue:
422
Sequence:
MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
  
Inhibitor
Name:
BDBM50516857
Synonyms:
CHEMBL4531647
Type:
Small organic molecule
Emp. Form.:
C31H34F2N4O2
Mol. Mass.:
532.6241
SMILES:
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1 |(86.87,-54.87,;85.36,-55.18,;84.87,-56.64,;83.36,-56.95,;82.35,-55.79,;80.81,-55.78,;80.35,-54.31,;81.61,-53.42,;81.62,-51.88,;82.96,-51.12,;82.97,-49.58,;81.64,-48.8,;80.31,-49.56,;78.98,-48.78,;77.65,-49.54,;76.32,-48.76,;74.98,-49.53,;73.65,-48.75,;73.66,-47.21,;74.99,-46.45,;72.33,-46.43,;71,-47.2,;69.67,-46.42,;68.34,-47.2,;68.34,-48.74,;69.67,-49.5,;70.99,-48.74,;72.31,-49.51,;72.3,-51.05,;72.33,-44.89,;71,-44.12,;71,-42.59,;72.34,-41.81,;73.67,-42.59,;73.67,-44.13,;75,-44.9,;80.29,-51.1,;82.84,-54.34,;84.34,-54.03,)|
Structure:
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