Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50017434
Substrate
n/a
Meas. Tech.
ChEMBL_1185 (CHEMBL615951)
Ki
4±n/a nM
Citation
 Abou-Gharbia, M; Moyer, JA; Patel, U; Webb, M; Schiehser, G; Andree, T; Haskins, JT Synthesis and structure-activity relationship of substituted tetrahydro- and hexahydro-1,2-benzisothiazol-3-one 1,1-dioxides and thiadiazinones: potential anxiolytic agents. J Med Chem 32:1024-33 (1989) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1A
Synonyms:
5-HT-1A | 5-HT1 | 5-HT1A | 5-Hydroxytryptamine receptor 1A (5-HT1A) | 5-hydroxytryptamine receptor 1A (5HT1A) | 5HT1A_RAT | 5ht1a | G-21 | Htr1a | Serotonin 1 (5-HT1) receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | Serotonin receptor 1A
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46445.29
Organism:
Rattus norvegicus (rat)
Description:
Binding assays were performed using rat hippocampal membranes.
Residue:
422
Sequence:
MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
  
Inhibitor
Name:
BDBM50017434
Synonyms:
4-{4-[4-(3-trifluoromethylphenyl)hexahydro-1-pyrazinyl]butyl}-5-sulfo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-3-one | CHEMBL542293
Type:
Small organic molecule
Emp. Form.:
C25H30F3N3O3S
Mol. Mass.:
509.584
SMILES:
FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:25,(15.77,-8.73,;14.27,-8.35,;14.27,-6.8,;15.61,-7.56,;13.2,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.69,-10.36,;11.66,-9.17,;9.17,-10.09,;8.18,-11.28,;6.66,-11.01,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.92,;-6.68,-9.95,;-5.24,-9.41,;-1.06,-9.66,;.13,-8.7,;-2.02,-8.44,;7.12,-8.38,;8.64,-8.66,)|
Structure:
Search PDB for entries with ligand similarity: