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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 | CHEMBL128782 |
---|---|
Molecular formula | C33H37Cl2N5O3 |
IUPAC name | 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-2-methoxy-N-methylnaphthalene-1-carboxamide |
Molecular weight | 622.591 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.7 |
Synonyms | N/A |
Inchi Key | CNNIPRDMDODXLC-XMMPIXPASA-N |
Inchi ID | InChI=1S/C33H37Cl2N5O3/c1-38(32(41)30-27-7-4-3-6-23(27)18-25(20-36)31(30)43-2)21-24(22-8-9-28(34)29(35)19-22)10-15-39-16-11-26(12-17-39)40-14-5-13-37-33(40)42/h3-4,6-9,18-19,24,26H,5,10-17,21H2,1-2H3,(H,37,42)/t24-/m1/s1 |
PubChem CID | 11061169 |
ChEMBL | CHEMBL128782 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|
pKB | 8.45 - | PMID12190319 | ChEMBL |
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