Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50207111
Substrate
n/a
Meas. Tech.
ChEMBL_1630051 (CHEMBL3872757)
Ki
2.3±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:
BDBM50207111
Synonyms:
CHEMBL3900752
Type:
Small organic molecule
Emp. Form.:
C26H41N5OS
Mol. Mass.:
471.702
SMILES:
CC(C)N(C(C)C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.9,wD:13.13,(10.89,-22.83,;10.18,-21.44,;8.69,-21.39,;11.05,-20.16,;10.33,-18.77,;8.79,-18.72,;11.2,-17.49,;12.59,-20.26,;13.26,-21.65,;13.36,-18.93,;14.9,-18.93,;15.66,-17.59,;17.2,-17.59,;17.98,-18.93,;19.52,-18.93,;20.28,-17.59,;21.82,-17.59,;22.59,-16.26,;24.13,-16.26,;24.9,-17.59,;24.13,-18.93,;22.59,-18.93,;26.44,-17.59,;27.31,-18.82,;28.8,-18.37,;28.8,-16.83,;29.87,-15.8,;29.56,-14.26,;28.13,-13.8,;27,-14.83,;27.31,-16.36,;17.2,-20.26,;15.66,-20.26,)|
Structure:
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