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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 | CHEMBL144011 |
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Molecular formula | C35H41Cl2F6N3O3 |
IUPAC name | 1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]-3-prop-2-enylpiperidin-2-one |
Molecular weight | 736.621 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 8.8 |
Synonyms | BDBM50096953 3-Allyl-1-(1-{5-(3,5-bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-ylmethyl)-piperidin-2-one |
Inchi Key | BCZOCLLNEUBFJV-CMXZEOLJSA-N |
Inchi ID | InChI=1S/C35H41Cl2F6N3O3/c1-3-5-25-6-4-12-46(33(25)47)20-23-9-13-45(14-10-23)15-11-29(26-7-8-30(36)31(37)18-26)32(44-48-2)22-49-21-24-16-27(34(38,39)40)19-28(17-24)35(41,42)43/h3,7-8,16-19,23,25,29H,1,4-6,9-15,20-22H2,2H3/b44-32+ |
PubChem CID | 44363984 |
ChEMBL | CHEMBL144011 |
IUPHAR | N/A |
BindingDB | 50096953 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 13.0 nM | PMID11229755 | BindingDB,ChEMBL |
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