Ki Summary

Reaction Details

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Target

5-hydroxytryptamine receptor 1A

Ligand

BDBM50252130

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_487560 (CHEMBL1013154)

16.1±n/a nM

Citation

Zhou, D; Zhou, P; Evrard, DA; Meagher, K; Webb, M; Harrison, BL; Huryn, DM; Golembieski, J; Hornby, GA; Schechter, LE; Smith, DL; Andree, TH; Mewshaw, RE Studies toward the discovery of the next generation of antidepressants. Part 6: Dual 5-HT1A receptor and serotonin transporter affinity within a class of arylpiperazinyl-cyclohexyl indole derivatives. Bioorg Med Chem16:6707-23 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

5-hydroxytryptamine receptor 1A

Name:

5-hydroxytryptamine receptor 1A

Synonyms:

Type:

n/a

Mol. Mass.:

46122.49

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

422

Sequence:

MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAA
IALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCC
TSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPED
RSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADT
RHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGN
SKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLP
FFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFC
RQ

BDBM50252130

n/a

Name

BDBM50252130

Synonyms:

4-{cis-4-[4-(1H-Indol-3-yl)cyclohexyl]-piperazin-1-yl}-2-(trifluoromethyl)-1H-benzimidazole | CHEMBL481524

Type

Small organic molecule

Emp. Form.

C26H28F3N5

Mol. Mass.

467.5292

SMILES

FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.21,22.28,(18.54,-3.2,;18.56,-4.75,;20.1,-4.75,;17.01,-4.76,;18.55,-6.29,;19.79,-7.21,;19.3,-8.67,;20.07,-10.01,;19.29,-11.34,;17.75,-11.34,;16.98,-9.99,;17.76,-8.66,;17.29,-7.19,;21.6,-10.02,;22.36,-11.35,;23.91,-11.36,;24.68,-10.03,;23.92,-8.69,;22.38,-8.69,;26.22,-10.04,;27,-8.71,;28.55,-8.73,;29.31,-10.07,;28.52,-11.4,;26.98,-11.39,;30.84,-10.09,;31.73,-11.33,;33.19,-10.87,;33.2,-9.35,;34.35,-8.34,;34.05,-6.84,;32.59,-6.35,;31.45,-7.36,;31.75,-8.85,)|

Structure