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Name | Substance-K receptor |
---|---|
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 | CHEMBL342341 |
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Molecular formula | C32H38Cl2F6N4O3 |
IUPAC name | 1-[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]piperidine-3-carboxamide |
Molecular weight | 711.571 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 6.9 |
Synonyms | BDBM50096951 L020322 1''-{5-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-[1,4'']bipiperidinyl-3-carboxylic acid amide |
Inchi Key | ASXZZPJDUJGTRI-JSKGAOECSA-N |
Inchi ID | InChI=1S/C32H38Cl2F6N4O3/c1-46-42-29(19-47-18-20-13-23(31(35,36)37)16-24(14-20)32(38,39)40)26(21-4-5-27(33)28(34)15-21)8-12-43-10-6-25(7-11-43)44-9-2-3-22(17-44)30(41)45/h4-5,13-16,22,25-26H,2-3,6-12,17-19H2,1H3,(H2,41,45)/b42-29+ |
PubChem CID | 44215303 |
ChEMBL | CHEMBL342341 |
IUPHAR | N/A |
BindingDB | 50096951 |
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 | 11.0 nM | PMID11229755 | BindingDB,ChEMBL |
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