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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 | CHEMBL391710 |
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Molecular formula | C28H31N3O3S |
IUPAC name | N-[1-[[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide |
Molecular weight | 489.634 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 5.4 |
Synonyms | BDBM50002948 |
Inchi Key | BJFZOWDASYUVCS-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C28H31N3O3S/c32-25(29-21-13-14-21)22(17-19-9-3-1-4-10-19)30-27(34)28(15-7-2-8-16-28)31-26(33)24-18-20-11-5-6-12-23(20)35-24/h1,3-6,9-12,18,21-22H,2,7-8,13-17H2,(H,29,32)(H,30,34)(H,31,33)/t22-/m0/s1 |
PubChem CID | 44434162 |
ChEMBL | CHEMBL391710 |
IUPHAR | N/A |
BindingDB | 50002948 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 316.0 nM | PMID17604625 | BindingDB |
Ki | 316.23 nM | PMID17604625 | ChEMBL |
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