Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM263401
Substrate
n/a
Meas. Tech.
5-HT1A Receptor Binding Test
pH
7.4±n/a
Ki
18.4±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:
BDBM263401
Synonyms:
US9550741, II-11
Type:
Small organic molecule
Emp. Form.:
C27H31ClN4O2S3
Mol. Mass.:
575.209
SMILES:
Clc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-11.97,5.96,;-11.2,4.63,;-11.97,3.3,;-11.2,1.96,;-9.66,1.96,;-8.63,.82,;-7.23,1.44,;-7.39,2.97,;-8.89,3.3,;-9.66,4.63,;-5.89,.67,;-5.89,-.87,;-5.89,2.21,;-4.56,1.44,;-3.22,.67,;-1.89,1.44,;-.56,.67,;-.56,-.87,;.78,-1.64,;2.11,-.87,;3.44,-1.64,;3.44,-3.18,;4.78,-3.95,;6.11,-3.18,;6.11,-1.64,;4.78,-.87,;7.45,-3.95,;7.45,-5.49,;8.91,-5.96,;9.81,-4.72,;11.35,-4.56,;11.97,-3.15,;11.07,-1.9,;9.54,-2.06,;8.91,-3.47,;-1.89,-1.64,;-3.22,-.87,)|
Structure:
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