Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM50151988
Substrate
n/a
Meas. Tech.
ChEMBL_1869989 (CHEMBL4371156)
IC50
1.000000±n/a nM
Citation
 Meanwell, NA Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design. J Med Chem 61:5822-5880 (2018) [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:
BDBM50151988
Synonyms:
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile | CHEMBL189709
Type:
Small organic molecule
Emp. Form.:
C25H28N4O2
Mol. Mass.:
416.5154
SMILES:
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Structure:
Search PDB for entries with ligand similarity: