| Reaction Details |
|---|
 | Report a problem with these data |
| Target | 5-hydroxytryptamine receptor 1B |
|---|
| Ligand | BDBM50027065 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_774993 (CHEMBL1912148) |
|---|
| Ki | 2.1±n/a nM |
|---|
| Citation |  Ghoneim, OM; Ibrahim, DA; El-Deeb, IM; Lee, SH; Booth, RG A novel potential therapeutic avenue for autism: design, synthesis and pharmacophore generation of SSRIs with dual action. Bioorg Med Chem Lett21:6714-23 (2011) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| 5-hydroxytryptamine receptor 1B |
|---|
| 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: | MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALIT
LATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQV
VCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISI
SLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRIL
KQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLE
KKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYL
NSLINPIIYTMSNEDFKQAFHKLIRFKCTS
|
|
|
|---|
| BDBM50027065 |
|---|
| n/a |
|---|
| Name | BDBM50027065 |
|---|
| Synonyms: | (5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione | (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman | 12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione | ERGOTAMINE | Ergotamin |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C33H35N5O5 |
|---|
| Mol. Mass. | 581.6615 |
|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| |
|---|
| Structure | 
|
|---|
Search and Browse
