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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 | CHEMBL554092 |
---|---|
Molecular formula | C33H38Cl2N4O5 |
IUPAC name | 1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-3-ylpiperidine-4-carboxamide |
Molecular weight | 641.59 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.6 |
Synonyms | (R)-1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-3yl)-piperidine-4-carboxylic acid amide BDBM50290307 HYKVHMXJPZXOSZ-YTTGMZPUSA-N 1''-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2'',3'',5'',6''-tetrahydro-1''H-[3,4'']bipyridinyl-4''-carboxylic acid amide; hydrochloride CHEMBL1195230 |
Inchi Key | HYKVHMXJPZXOSZ-YTTGMZPUSA-N |
Inchi ID | InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)/t32-/m0/s1 |
PubChem CID | 44319323 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50290307 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 4.0 nM | N/A | BindingDB |
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