Target
5-hydroxytryptamine receptor 1B
Ligand
BDBM50306587
Substrate
n/a
Meas. Tech.
ChEMBL_610954 (CHEMBL1070285)
Ki
0.43±n/a nM
Citation
 Nugiel, DAKrumrine, JRHill, DCDamewood, JRBernstein, PRSobotka-Briner, CDLiu, JZacco, APierson, ME De novo design of a picomolar nonbasic 5-HT(1B) receptor antagonist. J Med Chem 53:1876-80 (2010) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 1B
Synonyms:
5-HT-1B | 5-HT-1D-beta | 5-HT1B | 5-hydroxytryptamine receptor 1B (5-HT1B) | 5HT1B_HUMAN | HTR1B | HTR1DB | S12 | Serotonin (5-HT) receptor | Serotonin 1D beta receptor | Serotonin Receptor 1B
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
43579.17
Organism:
Homo sapiens (Human)
Description:
Receptor binding assays were performed using human clone stably expressed in CHO cells
Residue:
390
Sequence:
MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
  
Inhibitor
Name:
BDBM50306587
Synonyms:
6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)pyridin-3-yl)-4-oxo-8-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4H-chromene-2-carboxamide | CHEMBL605785
Type:
Small organic molecule
Emp. Form.:
C27H27FN4O5
Mol. Mass.:
506.5255
SMILES:
COC1(CCOCC1)c1ccc(NC(=O)c2cc(=O)c3cc(F)cc(-c4c(C)nn(C)c4C)c3o2)cn1 |(27.97,-16.65,;26.65,-17.44,;26.66,-18.99,;26.66,-20.53,;27.99,-21.29,;29.33,-20.52,;29.33,-18.98,;27.99,-18.21,;25.33,-18.23,;24,-19,;22.66,-18.23,;22.67,-16.69,;21.33,-15.93,;20,-16.7,;20,-18.24,;18.66,-15.93,;18.66,-14.39,;17.31,-13.61,;17.31,-12.07,;15.98,-14.4,;14.65,-13.63,;13.32,-14.4,;11.99,-13.63,;13.32,-15.95,;14.65,-16.72,;14.65,-18.27,;15.9,-19.17,;17.36,-18.7,;15.42,-20.64,;13.88,-20.64,;12.98,-21.89,;13.41,-19.17,;11.94,-18.7,;15.99,-15.94,;17.33,-16.71,;23.99,-15.92,;25.32,-16.68,)|
Structure:
Search PDB for entries with ligand similarity: