Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252131
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
3.6±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:
BDBM50252131
Synonyms:
4-{trans-4-[4-(1H-Indol-3-yl)cyclohexyl]-piperazin-1-yl}-2-(trifluoromethyl)-1H-benzimidazole | CHEMBL520265
Type:
Small organic molecule
Emp. Form.:
C26H28F3N5
Mol. Mass.:
467.5292
SMILES:
FC(F)(F)c1nc2c(cccc2[nH]1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12 |r,wU:22.28,wD:19.21,(-16.45,-13.54,;-16.45,-15.09,;-14.9,-15.09,;-17.99,-15.1,;-16.45,-16.63,;-15.2,-17.55,;-15.68,-19.01,;-14.93,-20.36,;-15.7,-21.69,;-17.26,-21.69,;-18.02,-20.34,;-17.23,-19,;-17.71,-17.53,;-13.38,-20.36,;-12.63,-21.7,;-11.08,-21.71,;-10.3,-20.38,;-11.07,-19.03,;-12.61,-19.03,;-8.76,-20.39,;-8,-21.73,;-6.47,-21.75,;-5.68,-20.42,;-6.44,-19.07,;-7.99,-19.06,;-4.14,-20.43,;-3.25,-21.68,;-1.79,-21.22,;-1.78,-19.69,;-.63,-18.68,;-.93,-17.18,;-2.39,-16.69,;-3.53,-17.7,;-3.23,-19.19,)|
Structure:
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