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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 | CHEMBL145302 |
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Molecular formula | C34H43Cl2F6N3O3 |
IUPAC name | 2-[1-[[1-[(4Z)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]methyl]piperidin-2-yl]ethanol |
Molecular weight | 726.626 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 8.3 |
Synonyms | BDBM50096931 L020325 1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-{4-[2-(2-hydroxy-ethyl)-piperidin-1-ylmethyl]-piperidin-1-yl}-pentan-2-one O-methyl-oxime |
Inchi Key | AUQCRJDJIAOZCU-WUGRJRDASA-N |
Inchi ID | InChI=1S/C34H43Cl2F6N3O3/c1-47-43-32(22-48-21-24-16-26(33(37,38)39)19-27(17-24)34(40,41)42)29(25-5-6-30(35)31(36)18-25)9-14-44-12-7-23(8-13-44)20-45-11-3-2-4-28(45)10-15-46/h5-6,16-19,23,28-29,46H,2-4,7-15,20-22H2,1H3/b43-32+ |
PubChem CID | 44215306 |
ChEMBL | CHEMBL145302 |
IUPHAR | N/A |
BindingDB | 50096931 |
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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