You can:
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 | CHEMBL110219 |
---|---|
Molecular formula | C33H38Cl2N4O2 |
IUPAC name | 2-[(1-benzylpiperidin-4-yl)amino]-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]ethanone |
Molecular weight | 593.593 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | SCHEMBL6470617 BDBM50120180 L020326 2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichloro-phenyl)-4-(3,5-dimethyl-benzoyl)-piperazin-1-yl]-ethanone |
Inchi Key | MUQJKGMXKAWCJF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H38Cl2N4O2/c1-23-16-24(2)18-27(17-23)33(41)38-14-15-39(31(22-38)26-8-9-29(34)30(35)19-26)32(40)20-36-28-10-12-37(13-11-28)21-25-6-4-3-5-7-25/h3-9,16-19,28,31,36H,10-15,20-22H2,1-2H3 |
PubChem CID | 10145229 |
ChEMBL | CHEMBL110219 |
IUPHAR | N/A |
BindingDB | 50120180 |
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 | 1.8 nM | PMID12372524 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218