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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 | CHEMBL318254 |
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Molecular formula | C18H21ClN6O |
IUPAC name | N-(4-chlorophenyl)-2-morpholin-4-yl-8-propyl-7H-purin-6-amine |
Molecular weight | 372.857 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | (4-Chloro-phenyl)-(2-morpholin-4-yl-8-propyl-9H-purin-6-yl)-amine BDBM50285943 |
Inchi Key | BHCLMCDCKVEHIB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H21ClN6O/c1-2-3-14-21-15-16(20-13-6-4-12(19)5-7-13)23-18(24-17(15)22-14)25-8-10-26-11-9-25/h4-7H,2-3,8-11H2,1H3,(H2,20,21,22,23,24) |
PubChem CID | 10044833 |
ChEMBL | CHEMBL318254 |
IUPHAR | N/A |
BindingDB | 50285943 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 2340.0 nM | , Bioorg. Med. Chem. Lett., (1995) 5:23:2879 | BindingDB,ChEMBL |
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