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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 | Substance P |
---|---|
Molecular formula | C63H98N18O13S |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide |
Molecular weight | 1347.65 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 15 |
XlogP | -2.3 |
Synonyms | BDBM50001450 H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-D-Phe-Gly-Leu-Met-NH2 P substance 12769-48-1 ADNPLDHMAVUMIW-CUZNLEPHSA-N [ Show all ] |
Inchi Key | ADNPLDHMAVUMIW-CUZNLEPHSA-N |
Inchi ID | InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 |
PubChem CID | 36511 |
ChEMBL | CHEMBL235363 |
IUPHAR | 2098 |
BindingDB | 50001450 |
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 |
---|---|---|---|
Binding | 100.0 % | PMID14998319 | ChEMBL |
Desensitisation | 100.0 % | PMID10794691 | ChEMBL |
EC50 | 0.05754 nM | PMID19473027 | ChEMBL |
EC50 | 0.057544 nM | PMID19473027 | BindingDB |
EC50 | 0.6 nM | PMID22574973, PMID10794691 | BindingDB,ChEMBL |
EC50 | 1.0 nM | PMID10794691 | BindingDB,ChEMBL |
Emax | 122.0 % | PMID19473027 | ChEMBL |
IC50 | 0.12 nM | PMID14998319 | BindingDB,ChEMBL |
IC50 | 0.24 nM | N/A | BindingDB |
IC50 | 0.24 nM | Bioorg. Med. Chem. Lett., (1997) 7:22:2819 | ChEMBL |
IC50 | 0.26 nM | Bioorg. Med. Chem. Lett., (1996) 6:2:165 | ChEMBL |
IC50 | 0.26 nM | N/A | BindingDB |
IC50 | 0.61 nM | PMID9871670 | BindingDB |
IC50 | 0.61 nM | PMID9871670 | ChEMBL |
IC50 | 0.9 nM | PMID11052787 | BindingDB,ChEMBL |
IC50 | 1.1 nM | PMID11052787 | BindingDB,ChEMBL |
IC50 | 1.4 nM | PMID11052787 | BindingDB,ChEMBL |
IC50 | 1.5 nM | PMID21421318, PMID18554914 | BindingDB,ChEMBL |
IC50 | 1.7 nM | PMID11052787 | BindingDB,ChEMBL |
Ki | 0.044 nM | PMID12438541 | BindingDB |
Ki | 0.0501187 - 3.16228 nM | PMID11786503, PMID15265501 | IUPHAR |
Ki | 0.2 nM | PMID8627566 | BindingDB |
Ki | 0.31 nM | PMID12438541 | BindingDB |
Ki | 0.33 nM | PMID12438541 | BindingDB |
Ki | 1.6 nM | PMID9871768 | BindingDB,ChEMBL |
Ki | 2.8 nM | PMID9190866 | BindingDB |
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