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Name | 5-hydroxytryptamine receptor 1A |
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Species | Homo sapiens (Human) |
Gene | HTR1A |
Synonym | 5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled [ Show all ] |
Disease | Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder [ Show all ] |
Length | 422 |
Amino acid sequence | MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ |
UniProt | P08908 |
Protein Data Bank | N/A |
GPCR-HGmod model | P08908 |
3D structure model | This predicted structure model is from GPCR-EXP P08908. |
BioLiP | N/A |
Therapeutic Target Database | T78709 |
ChEMBL | CHEMBL214 |
IUPHAR | 1 |
DrugBank | BE0000291 |
Name | CHEMBL150161 |
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Molecular formula | C20H21ClFNO2 |
IUPAC name | 4-[3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
Molecular weight | 361.841 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | (+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one (-)-4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one 4-[3-(4-Chloro-phenyl)-3-hydroxy-pyrrolidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one (+)-4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one BDBM50185474 [ Show all ] |
Inchi Key | BETHXCLHMRGYBW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2 |
PubChem CID | 9906978 |
ChEMBL | CHEMBL150161 |
IUPHAR | N/A |
BindingDB | 50185474 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 722.0 nM | PMID16621538 | BindingDB |
Ki | 722.3 nM | PMID16621538 | ChEMBL |
Ki | 772.3 nM | PMID18595716 | PDSP |
Ki | 772.3 nM | PMID18595716 | BindingDB,ChEMBL |
Ki | 831.5 nM | PMID18595716 | PDSP,BindingDB,ChEMBL |
Ki | 832.0 nM | PMID16621538 | ChEMBL |
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