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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 | CHEMBL446604 |
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Molecular formula | C37H50N4O4 |
IUPAC name | 1-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-N-[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide |
Molecular weight | 614.831 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 5.1 |
Synonyms | N/A |
Inchi Key | AHBIKCVHRSENAB-QXORNKNPSA-N |
Inchi ID | InChI=1S/C37H50N4O4/c1-28-9-5-6-12-32(28)13-14-34(42)40-37(19-7-8-20-37)36(44)39-33(25-29-10-3-2-4-11-29)35(43)38-26-30-15-21-41(22-16-30)27-31-17-23-45-24-18-31/h2-6,9-14,30-31,33H,7-8,15-27H2,1H3,(H,38,43)(H,39,44)(H,40,42)/b14-13+/t33-/m1/s1 |
PubChem CID | 44577905 |
ChEMBL | CHEMBL446604 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 1.585 nM | PMID18640835 | ChEMBL |
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