Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM466573
Substrate
n/a
Meas. Tech.
Evaluation of Binding Activity to Human 5-HT1A Receptor, Human D4 Receptor, and Human D2 Receptor
IC50
77.0±n/a nM
Citation
 Yoshinaga, H; Uemachi, H; Ohno, T; Besnard, J 2,6-disubstituted pyridine derivative US Patent  US10800755 Publication Date 10/13/2020 
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:
BDBM466573
Synonyms:
US10800755, Example 27 | US11014905, Example 27
Type:
Small organic molecule
Emp. Form.:
C21H30F3N3O2
Mol. Mass.:
413.477
SMILES:
CO[C@H]1CC[C@@H](CC1)C(=O)NCCN1CCC(CC1)c1cccc(n1)C(F)(F)F |r,wU:2.1,wD:5.8,(-9.74,5.37,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-8.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;.67,.77,;.67,-.77,;2,-1.54,;3.33,-.77,;3.33,.77,;2,1.54,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.38,-1.51,;6,-.77,;8.72,-.74,;10.05,.03,;7.95,.59,;9.49,-2.08,)|
Structure:
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