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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 | CEP-11981 |
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Molecular formula | C28H27N7O |
IUPAC name | 19-methyl-3-(2-methylpropyl)-7-(pyrimidin-2-ylamino)-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one |
Molecular weight | 477.572 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | GTPL8189 CEP 11981 UNII-J8AY0Z4CBP 4H-Indazolo(5,4-a)pyrrolo(3,4-C)carbazol-4-one, 2,5,6,11,12,13-hexahydro-2-methyl-11-(2-methylpropyl)-8-(2-pyrimidinylamino)- BDBM50379186 [ Show all ] |
Inchi Key | AEULIVPVIDOLIN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32) |
PubChem CID | 11751922 |
ChEMBL | CHEMBL2010872 |
IUPHAR | N/A |
BindingDB | 50379186 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | 80.0 % | PMID22148921 | ChEMBL |
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