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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 | CHEMBL102250 |
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Molecular formula | C18H20N4O2 |
IUPAC name | N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]furan-3-carboxamide |
Molecular weight | 324.384 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | 5-(N-[3-furoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine BUNPANXQBOTFPV-UHFFFAOYSA-N Furan-3-carboxylic acid [3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-amide SCHEMBL7012312 BDBM50130439 |
Inchi Key | BUNPANXQBOTFPV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H20N4O2/c1-22-7-4-12(5-8-22)14-10-19-15-2-3-16(20-17(14)15)21-18(23)13-6-9-24-11-13/h2-3,6,9-12,19H,4-5,7-8H2,1H3,(H,20,21,23) |
PubChem CID | 11120893 |
ChEMBL | CHEMBL102250 |
IUPHAR | N/A |
BindingDB | 50130439 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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Ki | 930.0 nM | PMID12825944 | BindingDB,ChEMBL |
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