Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50343893
Substrate
n/a
Meas. Tech.
ChEMBL_747433 (CHEMBL1776882)
Ki
1.68±n/a nM
Citation
 Al Hussainy, RVerbeek, Jvan der Born, DBraker, AHLeysen, JEKnol, RJBooij, JHerscheid, JK Design, synthesis, radiolabeling, and in vitro and in vivo evaluation of bridgehead iodinated analogues of N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) as potential SPECT ligands for the 5-HT1A receptor. J Med Chem 54:3480-91 (2011) [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:
BDBM50343893
Synonyms:
CHEMBL1774994 | N-(2-(4-(2-Hydroxyphenyl)piperazin-1-yl)ethyl)-4-iodo-N-(pyridin-2-yl)adamantane-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C28H35IN4O2
Mol. Mass.:
586.5076
SMILES:
Oc1ccccc1N1CCN(CCN(C(=O)C23CC4CC(C2)C(I)C(C4)C3)c2ccccn2)CC1 |TLB:19:18:21.20.22:26,THB:23:22:26:17.18.25,22:20:17:24.26.25,22:24:17:21.20.19,(-5.82,-35.6,;-6.58,-36.94,;-8.13,-36.95,;-8.89,-38.28,;-8.12,-39.61,;-6.58,-39.61,;-5.81,-38.27,;-4.27,-38.27,;-3.5,-39.6,;-1.97,-39.6,;-1.2,-38.27,;.34,-38.27,;1.11,-36.94,;2.65,-36.94,;3.42,-35.61,;4.96,-35.61,;2.65,-34.27,;3.99,-33.74,;3.34,-31.94,;3.75,-30.19,;2.67,-31.61,;3.43,-32.94,;1.13,-31.6,;.37,-30.27,;.36,-32.93,;1.83,-31.94,;1.12,-34.27,;3.42,-38.27,;4.95,-38.27,;5.71,-39.61,;4.94,-40.94,;3.4,-40.93,;2.64,-39.6,;-1.97,-36.94,;-3.51,-36.93,)|
Structure:
Search PDB for entries with ligand similarity: