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Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252278
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
156.2±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:
BDBM50252278
Synonyms:
3-[(1,4-cis)-4-(4-Quinoxalin-5-yl-piperazin-1-yl)-cyclohexyl]-1H-indole-5-carbonitrile | CHEMBL481113
Type:
Small organic molecule
Emp. Form.:
C27H28N6
Mol. Mass.:
436.5514
SMILES:
N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,12.15,(-5.41,-44.52,;-5,-46.02,;-4.7,-47.53,;-3.23,-48.02,;-2.93,-49.53,;-4.08,-50.54,;-4.1,-52.08,;-5.57,-52.54,;-6.46,-51.29,;-8,-51.27,;-8.76,-49.93,;-10.3,-49.91,;-11.07,-51.24,;-10.32,-52.58,;-8.78,-52.6,;-12.62,-51.23,;-13.4,-52.56,;-14.94,-52.55,;-15.69,-51.21,;-14.91,-49.88,;-13.38,-49.89,;-17.23,-51.21,;-18,-52.54,;-19.55,-52.53,;-20.32,-51.19,;-19.52,-49.86,;-20.29,-48.54,;-19.52,-47.21,;-17.98,-47.22,;-17.23,-48.55,;-17.99,-49.87,;-5.54,-50.04,;-5.84,-48.54,)|
Structure:
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