Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252083
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
7.9±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 Chem 16:6707-23 (2008) [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:
BDBM50252083
Synonyms:
4-{cis-4-[4-(1H-Indol-3-yl)cyclohexyl]-piperazin-1-yl}-1H-benzimidazole | CHEMBL517996
Type:
Small organic molecule
Emp. Form.:
C25H29N5
Mol. Mass.:
399.5313
SMILES:
C1C[C@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]cnc12)c1c[nH]c2ccccc12 |r,wU:5.6,2.24,(12.86,2.98,;14.41,2.97,;15.17,1.62,;14.38,.29,;12.84,.31,;12.08,1.65,;10.54,1.66,;9.76,.33,;8.22,.34,;7.46,1.68,;8.24,3.01,;9.78,3.01,;5.92,1.68,;5.15,.35,;3.6,.35,;2.84,1.7,;3.62,3.03,;3.15,4.5,;4.4,5.4,;5.65,4.49,;5.16,3.02,;16.7,1.61,;17.59,.36,;19.06,.82,;19.07,2.35,;20.21,3.36,;19.91,4.86,;18.46,5.35,;17.31,4.34,;17.61,2.84,)|
Structure:
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