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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 | CHEMBL360134 |
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Molecular formula | C28H39Cl2N3O2 |
IUPAC name | (5S)-1-(1-cyclopropylcyclopentyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one |
Molecular weight | 520.539 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.5 |
Synonyms | BDBM50170969 (S)-1-(1-Cyclopropyl-cyclopentyl)-5-(3,4-dichloro-phenyl)-5-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-piperidin-2-one |
Inchi Key | GCOOJVFHVKWCPG-HHHXNRCGSA-N |
Inchi ID | InChI=1S/C28H39Cl2N3O2/c29-24-6-5-22(17-25(24)30)27(11-12-31-18-23(19-31)32-13-15-35-16-14-32)10-7-26(34)33(20-27)28(21-3-4-21)8-1-2-9-28/h5-6,17,21,23H,1-4,7-16,18-20H2/t27-/m1/s1 |
PubChem CID | 44392318 |
ChEMBL | CHEMBL360134 |
IUPHAR | N/A |
BindingDB | 50170969 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 9500.0 nM | PMID16039119 | BindingDB,ChEMBL |
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