Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50252220
Substrate
n/a
Meas. Tech.
ChEMBL_487560 (CHEMBL1013154)
Ki
6.5±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:
BDBM50252220
Synonyms:
8-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclohexyl]-piperazin-1-yl}-quinoline | CHEMBL481753
Type:
Small organic molecule
Emp. Form.:
C27H29FN4
Mol. Mass.:
428.5444
SMILES:
Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1 |r,wU:8.7,wD:11.14,(-6.13,-34.96,;-5.82,-36.47,;-4.36,-36.96,;-4.06,-38.47,;-5.21,-39.48,;-5.23,-41.01,;-6.7,-41.47,;-7.59,-40.23,;-9.13,-40.21,;-9.91,-41.54,;-11.45,-41.52,;-12.21,-40.18,;-11.44,-38.85,;-9.89,-38.87,;-13.75,-40.17,;-14.53,-41.5,;-16.07,-41.48,;-16.82,-40.15,;-16.04,-38.82,;-14.51,-38.82,;-18.36,-40.14,;-19.13,-41.48,;-20.68,-41.47,;-21.45,-40.13,;-20.65,-38.8,;-21.42,-37.47,;-20.65,-36.15,;-19.11,-36.16,;-18.36,-37.49,;-19.12,-38.81,;-6.67,-38.98,;-6.97,-37.48,)|
Structure:
Search PDB for entries with ligand similarity: