Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM466572
Substrate
n/a
Meas. Tech.
Binding Activity Assay
Ki
>10000±n/a nM
Citation
 Yoshinaga, H; Uemachi, H; Ohno, T; Besnard, J 2,6-disubstituted pyridine derivative US Patent  US11014905 Publication Date 5/25/2021 
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:
BDBM466572
Synonyms:
US10800755, Example 26 | US11014905, Example 26
Type:
Small organic molecule
Emp. Form.:
C21H33N3O2
Mol. Mass.:
359.5056
SMILES:
CO[C@H]1CC[C@@H](CC1)C(=O)NCCN1CCC(CC1)c1cccc(C)n1 |r,wU:2.1,wD:5.8,(-9.07,5.37,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-4,.77,;-4,-.77,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;8.05,-1.51,;9.38,-.74,;6.67,-.77,)|
Structure:
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