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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 | CHEMBL282728 |
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Molecular formula | C26H24N2O4 |
IUPAC name | (4-methoxyphenyl)methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate |
Molecular weight | 428.488 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50030141 (S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 4-methoxy-benzyl ester |
Inchi Key | AYWZDQSVYRGCLX-DEOSSOPVSA-N |
Inchi ID | InChI=1S/C26H24N2O4/c1-31-21-13-11-18(12-14-21)17-32-26(30)24(28-25(29)19-7-3-2-4-8-19)15-20-16-27-23-10-6-5-9-22(20)23/h2-14,16,24,27H,15,17H2,1H3,(H,28,29)/t24-/m0/s1 |
PubChem CID | 10410322 |
ChEMBL | CHEMBL282728 |
IUPHAR | N/A |
BindingDB | 50030141 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 5500.0 nM | PMID7513763 | BindingDB,ChEMBL |
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