Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 1B
Ligand
BDBM50306590
Substrate
n/a
Meas. Tech.
ChEMBL_610954 (CHEMBL1070285)
Ki
9.3±n/a nM
Citation
Nugiel, DA; Krumrine, JR; Hill, DC; Damewood, JR; Bernstein, PR; Sobotka-Briner, CD; Liu, J; Zacco, A; Pierson, ME De novo design of a picomolar nonbasic 5-HT(1B) receptor antagonist. J Med Chem 53:1876-80 (2010) [PubMed] Article
More Info.:
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:
BDBM50306590
Synonyms:
5-Methyl-4-oxo-8-(1H-pyrazol-4-yl)-1,4-dihydroquinoline-2-carboxylic Acid(4-Morpholin-4-yl-phenyl)amide | CHEMBL601012
Type:
Small organic molecule
Emp. Form.:
C26H27N5O3
Mol. Mass.:
457.5243
SMILES:
Cc1n[nH]c(C)c1-c1ccc(C)c2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1 |(-3.14,-20.26,;-4.6,-20.73,;-5.08,-22.2,;-6.62,-22.2,;-7.1,-20.74,;-8.56,-20.26,;-5.85,-19.83,;-5.85,-18.28,;-7.18,-17.51,;-7.18,-15.97,;-5.85,-15.2,;-5.86,-13.66,;-4.52,-15.96,;-3.19,-15.18,;-3.2,-13.64,;-1.84,-15.95,;-1.84,-17.5,;-3.17,-18.27,;-4.51,-17.51,;-.5,-18.26,;-.5,-19.8,;.83,-17.49,;2.16,-18.25,;2.16,-19.8,;3.5,-20.56,;4.83,-19.79,;4.82,-18.24,;3.48,-17.48,;6.17,-20.55,;6.16,-22.09,;7.49,-22.85,;8.83,-22.08,;8.82,-20.54,;7.49,-19.77,)|