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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 | CHEMBL264821 |
---|---|
Molecular formula | C34H38N4O4 |
IUPAC name | (4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(1-propan-2-ylindole-3-carbonyl)pyrrolidine-2-carboxamide |
Molecular weight | 566.702 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | (R)-4-Hydroxy-1-(1-isopropyl-1H-indole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide BDBM50030209 |
Inchi Key | CAWAMDJVBURMIX-OYASOLBTSA-N |
Inchi ID | InChI=1S/C34H38N4O4/c1-23(2)37-22-28(27-16-10-11-17-30(27)37)33(41)38-21-26(39)19-31(38)32(40)35-29(18-24-12-6-4-7-13-24)34(42)36(3)20-25-14-8-5-9-15-25/h4-17,22-23,26,29,31,39H,18-21H2,1-3H3,(H,35,40)/t26-,29-,31?/m1/s1 |
PubChem CID | 44306435 |
ChEMBL | CHEMBL264821 |
IUPHAR | N/A |
BindingDB | 50030209 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 15.9 nM | PMID7518002 | ChEMBL |
IC50 | 16.0 nM | PMID7518002 | BindingDB |
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