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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 | CHEMBL319474 |
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Molecular formula | C33H38Cl2N4O4 |
IUPAC name | 2-[(1-benzylpiperidin-4-yl)amino]-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone |
Molecular weight | 625.591 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.1 |
Synonyms | BDBM50120200 2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichloro-phenyl)-4-(3,5-dimethoxy-benzoyl)-piperazin-1-yl]-ethanone |
Inchi Key | ANCRAJKTKYCZOD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H38Cl2N4O4/c1-42-27-16-25(17-28(19-27)43-2)33(41)38-14-15-39(31(22-38)24-8-9-29(34)30(35)18-24)32(40)20-36-26-10-12-37(13-11-26)21-23-6-4-3-5-7-23/h3-9,16-19,26,31,36H,10-15,20-22H2,1-2H3 |
PubChem CID | 44337289 |
ChEMBL | CHEMBL319474 |
IUPHAR | N/A |
BindingDB | 50120200 |
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 | 27.0 nM | PMID12372524 | BindingDB,ChEMBL |
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