Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM263423
Substrate
n/a
Meas. Tech.
5-HT1A Receptor Binding Test
pH
7.4±n/a
Ki
1.69±n/a nM
Comments
extracted
Citation
 Li, J; Chen, X; Ma, Z; Zhang, L; Cui, N Benzoisothiazole compounds and methods of treating schizophrenia US Patent  US9550741 Publication Date 1/24/2017 
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:
BDBM263423
Synonyms:
US9550741, III-5
Type:
Small organic molecule
Emp. Form.:
C26H38N4O2S
Mol. Mass.:
470.671
SMILES:
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OC1CCCCC1 |r,wU:3.2,wD:6.6,(-6.26,1.39,;-6.26,2.93,;-4.93,3.7,;-3.6,2.93,;-2.26,3.7,;-.93,2.93,;-.93,1.39,;.4,.62,;1.74,1.39,;3.07,.62,;3.07,-.92,;4.4,-1.69,;5.74,-.92,;5.74,.62,;4.4,1.39,;7.07,-1.69,;7.07,-3.23,;8.54,-3.7,;9.44,-2.46,;10.97,-2.3,;11.6,-.89,;10.69,.36,;9.16,.2,;8.54,-1.21,;-2.26,.62,;-3.6,1.39,;-7.6,3.7,;-8.93,2.93,;-10.27,3.7,;-11.6,2.93,;-11.6,1.39,;-10.27,.62,;-8.93,1.39,)|
Structure:
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