Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252590
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
22.2±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:
BDBM50252590
Synonyms:
4-Fluoro-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole | CHEMBL494078
Type:
Small organic molecule
Emp. Form.:
C26H29FN4
Mol. Mass.:
416.5337
SMILES:
Fc1cccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c12 |r,wU:12.15,wD:9.8,(10.58,-8.48,;12.05,-8.02,;13.17,-9.06,;14.64,-8.6,;14.97,-7.11,;13.85,-6.08,;13.87,-4.54,;12.41,-4.05,;11.49,-5.28,;9.96,-5.27,;9.2,-3.93,;7.65,-3.91,;6.88,-5.24,;7.64,-6.58,;9.17,-6.59,;5.34,-5.23,;4.56,-6.56,;3.02,-6.54,;2.26,-5.21,;3.04,-3.88,;4.58,-3.88,;.73,-5.21,;-.03,-3.87,;-1.57,-3.86,;-2.35,-5.19,;-1.59,-6.54,;-2.06,-8.01,;-.81,-8.91,;.44,-8,;-.04,-6.53,;12.39,-6.53,)|
Structure:
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