Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252082
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
13±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:
BDBM50252082
Synonyms:
3-[trans-4-[4-(1H-Indol-4-yl)-1-pipera-zinyl]-cyclohexyl]-2-methyl-1H-indole | CHEMBL479782
Type:
Small organic molecule
Emp. Form.:
C27H32N4
Mol. Mass.:
412.5698
SMILES:
Cc1[nH]c2ccccc2c1[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1cccc2[nH]ccc12 |r,wU:10.11,wD:13.18,(-8.67,-34.74,;-8.21,-36.21,;-6.75,-36.7,;-6.76,-38.24,;-5.64,-39.27,;-5.98,-40.76,;-7.44,-41.22,;-8.57,-40.18,;-8.23,-38.69,;-9.13,-37.44,;-10.66,-37.43,;-11.45,-38.75,;-12.99,-38.74,;-13.75,-37.4,;-12.97,-36.07,;-11.42,-36.09,;-15.28,-37.39,;-16.06,-38.72,;-17.6,-38.7,;-18.35,-37.37,;-17.57,-36.04,;-16.04,-36.04,;-19.89,-37.37,;-20.66,-36.03,;-22.18,-36.02,;-22.97,-37.35,;-22.21,-38.7,;-22.69,-40.17,;-21.43,-41.07,;-20.18,-40.16,;-20.66,-38.69,)|
Structure:
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