Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252644
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
3.5±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:
BDBM50252644
Synonyms:
3-{4-[(1,4-trans)-4-(1H-indol-4-yl)-pipera-zinyl-1-yl]cyclohexyl}-1H-indole-5-carbonitrile | CHEMBL494483
Type:
Small organic molecule
Emp. Form.:
C27H29N5
Mol. Mass.:
423.5527
SMILES:
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4[nH]ccc34)c2c1 |r,wU:9.8,wD:12.15,(31.78,-11.65,;32.19,-10.16,;32.53,-8.66,;33.99,-8.2,;34.33,-6.71,;33.2,-5.67,;33.22,-4.13,;31.76,-3.64,;30.84,-4.88,;29.31,-4.86,;28.52,-6.19,;26.99,-6.18,;26.23,-4.83,;27.01,-3.5,;28.55,-3.52,;24.7,-4.82,;23.92,-6.15,;22.38,-6.14,;21.62,-4.81,;22.4,-3.48,;23.93,-3.48,;20.08,-4.8,;19.32,-3.46,;17.78,-3.45,;17,-4.78,;17.77,-6.13,;17.29,-7.6,;18.54,-8.51,;19.79,-7.6,;19.31,-6.13,;31.74,-6.12,;31.4,-7.62,)|
Structure:
Search PDB for entries with ligand similarity: