Reaction Details  Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50516868
Substrate
n/a
Meas. Tech.
ChEMBL_1867020 (CHEMBL4367995)
Ki
50±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:
BDBM50516868
Synonyms:
CHEMBL4458537
Type:
Small organic molecule
Emp. Form.:
C32H37ClN4O3
Mol. Mass.:
561.114
SMILES:
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4Cl)C3)c2c1 |(87.71,-36.28,;86.68,-35.13,;85.17,-35.44,;84.69,-36.9,;83.18,-37.21,;82.16,-36.05,;80.63,-36.04,;80.17,-34.57,;81.42,-33.68,;81.43,-32.14,;82.77,-31.38,;82.79,-29.84,;81.46,-29.06,;80.13,-29.82,;78.8,-29.04,;77.46,-29.8,;76.13,-29.02,;74.79,-29.79,;73.46,-29.01,;73.47,-27.47,;74.81,-26.7,;72.14,-26.69,;70.81,-27.46,;69.48,-26.68,;68.15,-27.46,;68.15,-29,;69.48,-29.76,;70.8,-29,;72.13,-29.77,;72.12,-31.31,;72.15,-25.15,;70.82,-24.38,;70.82,-22.85,;72.16,-22.07,;73.49,-22.85,;73.48,-24.39,;74.81,-25.16,;80.11,-31.36,;82.66,-34.6,;84.16,-34.29,)|
Structure:
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