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Name | Substance-P receptor |
---|---|
Species | Homo sapiens (Human) |
Gene | TACR1 |
Synonym | NK-1 receptor Tachykinin receptor 1 TAC1R SPR Substance P receptor [ Show all ] |
Disease | Cough Depression Depression; Anxiety Diabetes Eczema [ Show all ] |
Length | 407 |
Amino acid sequence | MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS |
UniProt | P25103 |
Protein Data Bank | 2ksa, 6e59, 6hlo, 2ks9, 6hlp, 6hll, 2ksb |
GPCR-HGmod model | P25103 |
3D structure model | This structure is from PDB ID 2ksa. |
BioLiP | BL0101802, BL0437915, BL0437914, BL0437913, BL0434896, BL0101803, BL0101801 |
Therapeutic Target Database | T47094 |
ChEMBL | CHEMBL249 |
IUPHAR | 360 |
DrugBank | BE0000384 |
Name | CHEMBL295680 |
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Molecular formula | C20H20N2O2 |
IUPAC name | 4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one |
Molecular weight | 320.392 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | 4-Benzyl-2-(1H-indol-3-ylmethyl)-morpholin-3-one BDBM50287926 |
Inchi Key | ROOCUTOICRZTPC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H20N2O2/c23-20-19(12-16-13-21-18-9-5-4-8-17(16)18)24-11-10-22(20)14-15-6-2-1-3-7-15/h1-9,13,19,21H,10-12,14H2 |
PubChem CID | 10245452 |
ChEMBL | CHEMBL295680 |
IUPHAR | N/A |
BindingDB | 50287926 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 3500.0 nM | , Bioorg. Med. Chem. Lett., (1996) 6:2:165 | BindingDB,ChEMBL |
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