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Name | Substance-K receptor |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | TACR2 |
Synonym | Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2 |
Disease | N/A for non-human GPCRs |
Length | 402 |
Amino acid sequence | MGACVIVTNTNISSGLESNTTGITAFSMPTWQLALWATAYLALVLVAVTGNATVTWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAIDRYMAIVHPFQPRLSAPSTKAVIGGIWLVALALAFPQCFYSTITEDEGATKCVVAWPEDSRDKSLLLYHLVVIVLIYLLPLTVMFVAYSIIGLTLWRRAVPRHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNRRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSFSLRVNRCHTKEILFMAGDTVPSEATNGQAGGPQDRESVELSSLPGCRAGPSILAKASS |
UniProt | Q64077 |
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 | CHEMBL2647 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL59413 |
---|---|
Molecular formula | C22H25FN2O2S |
IUPAC name | 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(R)-phenylsulfinyl]methyl]piperidin-4-ol |
Molecular weight | 400.512 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.4 |
Synonyms | 4-(oxidosulfanyl)benzenemethyl-1-[2-(5-fluoro-1H-indol-3-yl)-ethyl]-piperidin-4-ol 1-[3-(5-Fluoro-1H-indol-3-yl)-ethyl]-4-(methylsulfinyl)benzene-piperidin-4-ol BDBM50097909 SCHEMBL9539955 |
Inchi Key | VWIWOPFCNLLGBQ-MUUNZHRXSA-N |
Inchi ID | InChI=1S/C22H25FN2O2S/c23-18-6-7-21-20(14-18)17(15-24-21)8-11-25-12-9-22(26,10-13-25)16-28(27)19-4-2-1-3-5-19/h1-7,14-15,24,26H,8-13,16H2/t28-/m1/s1 |
PubChem CID | 44301859 |
ChEMBL | CHEMBL59413 |
IUPHAR | N/A |
BindingDB | 50097909 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
pKB | 8.7 - | Bioorg. Med. Chem. Lett., (1994) 4:16:1951 | ChEMBL |
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