Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252334
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
7.8±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:
BDBM50252334
Synonyms:
3-{(1,4-trans)-4-[4-(1H-Indole-4-yl)-piperazin-1-yl]-cyclohexyl}-1H-pyrrolo[2,3-b]pyridine | CHEMBL481126
Type:
Small organic molecule
Emp. Form.:
C25H29N5
Mol. Mass.:
399.5313
SMILES:
C1C[C@@H](CC[C@H]1N1CCN(CC1)c1cccc2[nH]ccc12)c1c[nH]c2ncccc12 |r,wU:2.24,wD:5.6,(30.15,.24,;31.69,.22,;32.48,1.55,;31.72,2.89,;30.17,2.91,;29.4,1.58,;27.85,1.59,;27.08,.26,;25.53,.27,;24.77,1.61,;25.55,2.94,;27.09,2.94,;23.23,1.61,;22.46,.28,;20.92,.28,;20.15,1.63,;20.93,2.96,;20.47,4.43,;21.72,5.32,;22.95,4.41,;22.47,2.95,;34.02,1.53,;34.91,.28,;36.39,.74,;36.4,2.28,;37.56,3.3,;37.26,4.81,;35.79,5.3,;34.64,4.28,;34.94,2.78,)|
Structure:
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