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Name | 5-hydroxytryptamine receptor 1D |
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Species | Rattus norvegicus (Rat) |
Gene | Htr1d |
Synonym | 5-HT1D receptor HTRL Htr1db HT1DA Gpcr14 [ Show all ] |
Disease | N/A for non-human GPCRs |
Length | 374 |
Amino acid sequence | MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS |
UniProt | P28565 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5450 |
IUPHAR | 3 |
DrugBank | N/A |
Name | CHEMBL274922 |
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Molecular formula | C27H34N6O3 |
IUPAC name | 3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide |
Molecular weight | 490.608 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | 3-[1-[[3-(4-Methylpiperazino)-4-methoxyphenyl]carbamoyl]piperidine-4-yl]-1H-indole-5-carboxamide BDBM50086095 SCHEMBL6345386 3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylcarbamoyl]-piperidin-4-yl}-1H-indole-5-carboxylic acid amide |
Inchi Key | BWSZPXLKWNGQFZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35) |
PubChem CID | 10529106 |
ChEMBL | CHEMBL274922 |
IUPHAR | N/A |
BindingDB | 50086095 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 100.0 nM | PMID10737747 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417