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Name | 5-hydroxytryptamine receptor 1B |
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Species | Homo sapiens (Human) |
Gene | HTR1B |
Synonym | 5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor [ Show all ] |
Disease | Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders [ Show all ] |
Length | 390 |
Amino acid sequence | MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS |
UniProt | P28222 |
Protein Data Bank | 4iar, 6g79, 5v54 |
GPCR-HGmod model | P28222 |
3D structure model | This structure is from PDB ID 4iar. |
BioLiP | BL0239857, BL0403524,BL0403525, BL0417722 |
Therapeutic Target Database | T07806 |
ChEMBL | CHEMBL1898 |
IUPHAR | 2 |
DrugBank | BE0000797 |
Name | pergolide |
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Molecular formula | C19H26N2S |
IUPAC name | (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline |
Molecular weight | 314.491 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | DB01186 KBio1_000442 LS-64479 NCGC00017366-06 (6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline [ Show all ] |
Inchi Key | YEHCICAEULNIGD-MZMPZRCHSA-N |
Inchi ID | InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 |
PubChem CID | 47811 |
ChEMBL | CHEMBL531 |
IUPHAR | 48 |
BindingDB | 50028421, 50017543 |
DrugBank | DB01186 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
Ki | 251.189 nM | PMID12388666 | IUPHAR |
Ki | 281.84 nM | PMID12388666 | BindingDB |
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