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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 | CHEMBL168144 |
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Molecular formula | C34H40Cl4N6O3 |
IUPAC name | 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-(2-imidazol-1-ylethoxyimino)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-N-methylbenzamide |
Molecular weight | 722.533 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 6.4 |
Synonyms | BDBM50110649 3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-2-imidazol-1-yl-ethoxyimino]-5-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-pentyl]-N-methyl-benzamide |
Inchi Key | AOHIJPJMMHXDHP-GGPBTZDJSA-N |
Inchi ID | InChI=1S/C34H40Cl4N6O3/c1-41(34(46)25-18-26(35)21-27(36)19-25)22-32(40-47-17-16-43-15-10-39-23-43)29(24-5-6-30(37)31(38)20-24)9-14-42-12-7-28(8-13-42)44-11-3-2-4-33(44)45/h5-6,10,15,18-21,23,28-29H,2-4,7-9,11-14,16-17,22H2,1H3/b40-32+ |
PubChem CID | 44380248 |
ChEMBL | CHEMBL168144 |
IUPHAR | N/A |
BindingDB | 50110649 |
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 | 5.4 nM | PMID11859013 | BindingDB,ChEMBL |
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