Ki Summary

Reaction Details

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Target

5-hydroxytryptamine receptor 1A

Ligand

BDBM50017434

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1185 (CHEMBL615951)

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 Chem32:1024-33 (1989) [PubMed]

More Info.:

Get all data from this article, Assay Method

5-hydroxytryptamine receptor 1A

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:

MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAA
IALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCC
TSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPED
RSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGT
SLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGN
SKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLP
FFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFC
RR

BDBM50017434

n/a

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