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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 | CHEMBL310019 |
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Molecular formula | C26H29Cl2F6N3O2 |
IUPAC name | (Z)-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-N-methoxy-5-(4-methylpiperazin-1-yl)pentan-2-imine |
Molecular weight | 600.427 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 6.8 |
Synonyms | BDBM50093108 1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-(4-methyl-piperazin-1-yl)-pentan-2-one O-methyl-oxime |
Inchi Key | BGMAFASBOCNMKL-JWHWKPFMSA-N |
Inchi ID | InChI=1S/C26H29Cl2F6N3O2/c1-36-7-9-37(10-8-36)6-5-21(18-3-4-22(27)23(28)13-18)24(35-38-2)16-39-15-17-11-19(25(29,30)31)14-20(12-17)26(32,33)34/h3-4,11-14,21H,5-10,15-16H2,1-2H3/b35-24+ |
PubChem CID | 44314597 |
ChEMBL | CHEMBL310019 |
IUPHAR | N/A |
BindingDB | 50093108 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 200.0 nM | PMID11055350 | BindingDB,ChEMBL |
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