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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 | CHEMBL116448 |
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Molecular formula | C18H27BrN2O2S |
IUPAC name | 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine |
Molecular weight | 415.39 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | (2R)-1-(3-Bromophenylsulfonyl)-2-[2-(4-methylpiperidino)ethyl]pyrrolidine BDBM85610 SCHEMBL4298542 (R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine |
Inchi Key | JBIWUVRCMUOUNK-QGZVFWFLSA-N |
Inchi ID | InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1 |
PubChem CID | 10573876 |
ChEMBL | CHEMBL116448 |
IUPHAR | N/A |
BindingDB | 85610 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 501.19 nM | PMID10669560 | BindingDB,ChEMBL |
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