Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252129
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
3±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:
BDBM50252129
Synonyms:
4-{trans-4-[4-(1H-Indol-3-yl)cyclohexyl]piperazin-1-yl}-2-methyl-1H-benzimidazole | CHEMBL519616
Type:
Small organic molecule
Emp. Form.:
C26H31N5
Mol. Mass.:
413.5578
SMILES:
Cc1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:19.25,wD:16.18,(-.68,-4.45,;-.69,-6,;.55,-6.91,;.07,-8.37,;.83,-9.72,;.06,-11.05,;-1.49,-11.05,;-2.25,-9.7,;-1.47,-8.37,;-1.94,-6.9,;2.37,-9.72,;3.13,-11.06,;4.67,-11.07,;5.45,-9.74,;4.69,-8.39,;3.15,-8.39,;6.99,-9.75,;7.75,-11.09,;9.28,-11.11,;10.07,-9.78,;9.31,-8.43,;7.76,-8.42,;11.6,-9.79,;12.49,-11.04,;13.95,-10.58,;13.96,-9.05,;15.11,-8.04,;14.81,-6.54,;13.36,-6.05,;12.21,-7.06,;12.52,-8.56,)|
Structure:
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