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Name | 5-hydroxytryptamine receptor 1D |
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Species | Homo sapiens (Human) |
Gene | HTR1D |
Synonym | Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D [ Show all ] |
Disease | Acute migraine Epilepsy Migraine headaches Mood disorder Migraine [ Show all ] |
Length | 377 |
Amino acid sequence | MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS |
UniProt | P28221 |
Protein Data Bank | N/A |
GPCR-HGmod model | P28221 |
3D structure model | This predicted structure model is from GPCR-EXP P28221. |
BioLiP | N/A |
Therapeutic Target Database | T11072 |
ChEMBL | CHEMBL1983 |
IUPHAR | 3 |
DrugBank | BE0000659 |
Name | CHEMBL79725 |
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Molecular formula | C24H26FN3O2 |
IUPAC name | 1-[2-[3-(6-fluoro-1H-indol-3-yl)pyrrolidin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide |
Molecular weight | 407.489 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.0 |
Synonyms | 1-{2-[3-(6-Fluoro-1H-indol-3-yl)-pyrrolidin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide BDBM50145352 |
Inchi Key | ASDKFOKSFQKONG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H26FN3O2/c25-18-2-4-20-21(13-27-22(20)12-18)17-5-8-28(14-17)9-6-23-19-3-1-16(24(26)29)11-15(19)7-10-30-23/h1-4,11-13,17,23,27H,5-10,14H2,(H2,26,29) |
PubChem CID | 44461248 |
ChEMBL | CHEMBL79725 |
IUPHAR | N/A |
BindingDB | 50145352 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 40.0 nM | PMID15109634 | BindingDB,ChEMBL |
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