You can:
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 | CHEMBL74127 |
---|---|
Molecular formula | C31H34Cl2N4O2 |
IUPAC name | N-[2-(3,4-dichlorophenyl)-4-[4-(2-oxo-3H-benzimidazol-1-yl)azepan-1-yl]butyl]-N-methylbenzamide |
Molecular weight | 565.539 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 6.2 |
Synonyms | N-[2-(3,4-Dichlorophenyl)-4-[4-(2-oxo-2,3-dihydro-1H-benzimidazole-1-yl)hexahydro-1H-azepine-1-yl]butyl]-N-methylbenzamide N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-azepan-1-yl]-butyl}-N-methyl-benzamide BDBM50129524 |
Inchi Key | BCMOURGLNMDTBL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H34Cl2N4O2/c1-35(30(38)22-8-3-2-4-9-22)21-24(23-13-14-26(32)27(33)20-23)15-18-36-17-7-10-25(16-19-36)37-29-12-6-5-11-28(29)34-31(37)39/h2-6,8-9,11-14,20,24-25H,7,10,15-19,21H2,1H3,(H,34,39) |
PubChem CID | 44310139 |
ChEMBL | CHEMBL74127 |
IUPHAR | N/A |
BindingDB | 50129524 |
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 |
---|---|---|---|
IC50 | 8.4 nM | PMID12798336 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218