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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 | CHEMBL567198 |
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Molecular formula | C27H34Cl3N3O2 |
IUPAC name | 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide |
Molecular weight | 538.938 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 0 |
XlogP | 5.5 |
Synonyms | BDBM50299470 SCHEMBL297642 4-[4-(acetylmethyl-amino)-piperidin-1-yl]-N-(2-chloro-benzyl)-2-(3,4-dichlorophenyl)-2,N-dimethylbutyramide |
Inchi Key | OZJDKUMSRQSURZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3 |
PubChem CID | 44550460 |
ChEMBL | CHEMBL567198 |
IUPHAR | N/A |
BindingDB | 50299470 |
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 |
---|---|---|---|
Ki | 70.9 nM | PMID19817444 | BindingDB,ChEMBL |
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