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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 | CHEMBL56739 |
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Molecular formula | C26H34Cl2N2O2 |
IUPAC name | N-[2-(3,4-dichlorophenyl)-4-[4-(1-hydroxypropyl)piperidin-1-yl]butyl]-N-methylbenzamide |
Molecular weight | 477.47 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.8 |
Synonyms | N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide BDBM50071124 |
Inchi Key | KRMCSHVGYGBUFB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H34Cl2N2O2/c1-3-25(31)19-11-14-30(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-29(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,25,31H,3,11-16,18H2,1-2H3 |
PubChem CID | 22405758 |
ChEMBL | CHEMBL56739 |
IUPHAR | N/A |
BindingDB | 50071124 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 13.0 nM | PMID9873462 | BindingDB |
Ki | 13.1 nM | PMID9873462 | ChEMBL |
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