Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1A
Ligand
BDBM52429
Substrate
n/a
Meas. Tech.
ChEMBL_1464329 (CHEMBL3404596)
Ki
13490±n/a nM
Citation
 Smusz, S; Kurczab, R; Satala, G; Bojarski, AJ Fingerprint-based consensus virtual screening towards structurally new 5-HT(6)R ligands. Bioorg Med Chem Lett 25:1827-30 (2015) [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:
BDBM52429
Synonyms:
4-fluoranyl-N-(4-oxidanyl-3-quinolin-8-ylsulfanyl-naphthalen-1-yl)benzenesulfonamide | 4-fluoro-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide | 4-fluoro-N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthalenyl]benzenesulfonamide | 4-fluoro-N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulfonamide | 4-fluoro-N-[4-hydroxy-3-(8-quinolylthio)-1-naphthyl]benzenesulfonamide | MLS000581412 | SMR000200036 | cid_2133793
Type:
Small organic molecule
Emp. Form.:
C25H17FN2O3S2
Mol. Mass.:
476.542
SMILES:
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: