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Name | Substance-P receptor |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | TACR1 |
Synonym | NK-1 receptor NK-1R SPR Tachykinin receptor 1 |
Disease | N/A for non-human GPCRs |
Length | 407 |
Amino acid sequence | MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS |
UniProt | P30547 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3942 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL291868 |
---|---|
Molecular formula | C31H31N3O4S |
IUPAC name | (4R)-1-(1-benzothiophene-2-carbonyl)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide |
Molecular weight | 541.666 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.6 |
Synonyms | (R)-1-(Benzo[b]thiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide BDBM50030198 |
Inchi Key | ASZUNVYZNVUWFW-YFHSQZFMSA-N |
Inchi ID | InChI=1S/C31H31N3O4S/c1-33(19-22-12-6-3-7-13-22)30(37)25(16-21-10-4-2-5-11-21)32-29(36)26-18-24(35)20-34(26)31(38)28-17-23-14-8-9-15-27(23)39-28/h2-15,17,24-26,35H,16,18-20H2,1H3,(H,32,36)/t24-,25-,26?/m1/s1 |
PubChem CID | 44305927 |
ChEMBL | CHEMBL291868 |
IUPHAR | N/A |
BindingDB | 50030198 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 19.9 nM | PMID7518002 | ChEMBL |
IC50 | 20.0 nM | PMID7518002 | BindingDB |
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