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Name | Substance-K receptor |
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Species | Homo sapiens (Human) |
Gene | TACR2 |
Synonym | NK2 receptor Neurokinin A receptor Tachykinin receptor 2 TAC2R Substance K receptor [ Show all ] |
Disease | Urinary incontinence Pain Unspecified Irritable bowel syndrome with diarrhoea Irritable bowel syndrome [ Show all ] |
Length | 398 |
Amino acid sequence | MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI |
UniProt | P21452 |
Protein Data Bank | N/A |
GPCR-HGmod model | P21452 |
3D structure model | This predicted structure model is from GPCR-EXP P21452. |
BioLiP | N/A |
Therapeutic Target Database | T52790 |
ChEMBL | CHEMBL2327 |
IUPHAR | 361 |
DrugBank | BE0002222 |
Name | CHEMBL71498 |
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Molecular formula | C17H21NO |
IUPAC name | (1S)-2-[(3,5-dimethylphenyl)methoxy]-1-phenylethanamine |
Molecular weight | 255.361 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BDBM50283090 SCHEMBL8960677 (S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine |
Inchi Key | BCBZQRGPPQVWGF-QGZVFWFLSA-N |
Inchi ID | InChI=1S/C17H21NO/c1-13-8-14(2)10-15(9-13)11-19-12-17(18)16-6-4-3-5-7-16/h3-10,17H,11-12,18H2,1-2H3/t17-/m1/s1 |
PubChem CID | 44308930 |
ChEMBL | CHEMBL71498 |
IUPHAR | N/A |
BindingDB | 50283090 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Affinity | <10000.0 nM | Bioorg. Med. Chem. Lett., (1994) 4:18:2161 | ChEMBL |
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