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Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252026
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
2.9±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:
BDBM50252026
Synonyms:
5-Methoxy-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole | CHEMBL481141
Type:
Small organic molecule
Emp. Form.:
C27H32N4O
Mol. Mass.:
428.5692
SMILES:
COc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(13.16,-32.09,;14.63,-31.63,;14.97,-30.13,;16.44,-29.67,;16.77,-28.18,;15.65,-27.14,;15.67,-25.6,;14.21,-25.11,;13.29,-26.35,;11.75,-26.33,;10.97,-27.66,;9.43,-27.64,;8.68,-26.3,;9.45,-24.97,;11,-24.99,;7.14,-26.29,;6.36,-27.62,;4.82,-27.61,;4.06,-26.28,;4.84,-24.95,;6.38,-24.95,;2.53,-26.27,;1.77,-24.93,;.23,-24.92,;-.55,-26.25,;.21,-27.6,;-.27,-29.07,;.99,-29.98,;2.23,-29.07,;1.75,-27.6,;14.18,-27.59,;13.85,-29.09,)|
Structure:
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