Target
5-hydroxytryptamine receptor 1B
Ligand
BDBM50064786
Substrate
n/a
Meas. Tech.
ChEMBL_1585 (CHEMBL616996)
Ki
5775±n/a nM
Citation
 Ennis, MDGhazal, NBHoffman, RLSmith, MWSchlachter, SKLawson, CFIm, WBPregenzer, JFSvensson, KALewis, RAHall, EDSutter, DMHarris, LTMcCall, RB Isochroman-6-carboxamides as highly selective 5-HT1D agonists: potential new treatment for migraine without cardiovascular side effects. J Med Chem 41:2180-3 (1998) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1B
Synonyms:
5-HT-1B | 5-HT1B | 5HT1B_GORGO | HTR1B | Serotonin receptor 1B
Type:
PROTEIN
Mol. Mass.:
43466.06
Organism:
Gorilla gorilla gorilla
Description:
ChEMBL_105571
Residue:
389
Sequence:
MEEPGAQCAPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSIALPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
  
Inhibitor
Name:
BDBM50064786
Synonyms:
(S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide | (S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide | CHEMBL71838
Type:
Small organic molecule
Emp. Form.:
C24H31N3O3
Mol. Mass.:
409.5212
SMILES:
CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1 |r|
Structure:
Search PDB for entries with ligand similarity: