Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50207117
Substrate
n/a
Meas. Tech.
ChEMBL_1630051 (CHEMBL3872757)
Ki
39±n/a nM
Citation
 Chen, XW; Sun, YY; Fu, L; Li, JQ Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics. Eur J Med Chem 123:332-353 (2016) [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:
Homo sapiens (Human)
Description:
n/a
Residue:
422
Sequence:
MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
  
Inhibitor
Name:
BDBM50207117
Synonyms:
CHEMBL3970746
Type:
Small organic molecule
Emp. Form.:
C24H29N5O4S
Mol. Mass.:
483.583
SMILES:
[O-][N+](=O)c1ccc2c(nsc2c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CC1 |r,wU:18.19,wD:21.26,(18.7,-13.51,;18.34,-15.04,;16.9,-15.51,;19.52,-16.08,;20.96,-15.56,;22.13,-16.64,;21.77,-18.12,;22.7,-19.36,;21.77,-20.59,;20.34,-20.13,;20.34,-18.59,;19.16,-17.56,;24.24,-19.36,;25.01,-20.69,;26.55,-20.69,;27.32,-19.36,;28.86,-19.36,;29.62,-20.69,;31.16,-20.69,;31.93,-19.36,;33.47,-19.36,;34.24,-20.69,;33.47,-22.02,;31.93,-22.02,;35.78,-20.69,;36.55,-22.02,;35.83,-23.41,;38.09,-21.97,;38.9,-20.64,;40.39,-21.05,;40.49,-22.59,;39.06,-23.15,;26.55,-18.02,;25.01,-18.02,)|
Structure:
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