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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 | CHEMBL1083868 |
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Molecular formula | C35H42N6O2S |
IUPAC name | 6-methyl-N-[1-[[(2S)-1-phenyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide |
Molecular weight | 610.821 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.3 |
Synonyms | BDBM50415944 |
Inchi Key | HYALMZIBFASEJD-LJAQVGFWSA-N |
Inchi ID | InChI=1S/C35H42N6O2S/c1-26-12-13-28-25-31(44-30(28)23-26)32(42)39-35(14-5-6-15-35)33(43)38-29(24-27-9-3-2-4-10-27)11-7-18-40-19-21-41(22-20-40)34-36-16-8-17-37-34/h2-4,8-10,12-13,16-17,23,25,29H,5-7,11,14-15,18-22,24H2,1H3,(H,38,43)(H,39,42)/t29-/m0/s1 |
PubChem CID | 46237169 |
ChEMBL | CHEMBL1083868 |
IUPHAR | N/A |
BindingDB | 50415944 |
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 | 0.794 nM | PMID20408549 | BindingDB |
Ki | 0.7943 nM | PMID20408549 | ChEMBL |
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