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Name | Substance-P receptor |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | TACR1 |
Synonym | NK-1 receptor NK-1R SPR Tachykinin receptor 1 |
Disease | N/A for non-human GPCRs |
Length | 407 |
Amino acid sequence | MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS |
UniProt | P30547 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3942 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL2304128 |
---|---|
Molecular formula | C53H78N10O13S |
IUPAC name | tert-butyl (2S)-2-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate |
Molecular weight | 1095.32 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 8 |
XlogP | 2.4 |
Synonyms | N/A |
Inchi Key | CGPCFVCUHPPRIS-ZSYAGYDVSA-N |
Inchi ID | InChI=1S/C53H78N10O13S/c1-32(2)28-38(47(69)59-37(25-27-77-8)51(73)75-7)56-44(66)31-62(6)50(72)40(30-34-18-13-10-14-19-34)61-48(70)39(29-33-16-11-9-12-17-33)60-46(68)35(21-23-42(54)64)57-45(67)36(22-24-43(55)65)58-49(71)41-20-15-26-63(41)52(74)76-53(3,4)5/h9-14,16-19,32,35-41H,15,20-31H2,1-8H3,(H2,54,64)(H2,55,65)(H,56,66)(H,57,67)(H,58,71)(H,59,69)(H,60,68)(H,61,70)/t35-,36-,37+,38-,39+,40-,41-/m0/s1 |
PubChem CID | 44271545 |
ChEMBL | CHEMBL2304128 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Activity | >2.0 dose ratio | PMID2433443 | ChEMBL |
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