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Name | Substance P (5-11) |
---|---|
Molecular formula | C41H60N10O9S |
IUPAC name | (2S)-2-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 | 869.052 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | -0.5 |
Synonyms | (S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carbamoyl-butyrylamino)-4-carbamoyl-butyrylamino]-3-phenyl-propionylamino}-3-phenyl-propionylamino)-acetylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-3-methylsulfanyl-propyl)-amide Substance P(5-11) l-glutaminyl-l-glutaminyl-l-phenylalanyl-l-phenylalanylglycyl-l-leucyl-l-methioninamide ZINC150357932 AC1Q5IQB [ Show all ] |
Inchi Key | FHHJIELOJQJHCG-JNRWAQIZSA-N |
Inchi ID | InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28-,29-,30-,31-,32-/m0/s1 |
PubChem CID | 162632 |
ChEMBL | CHEMBL311405 |
IUPHAR | N/A |
BindingDB | 50283252 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
78380 | Neuromedin-K receptor | P30098 | TACR3 | Cavia porcellus (Guinea pig) | 440 |
78382 | Substance-K receptor | P51144 | TACR2 | Mesocricetus auratus (Golden hamster) | 384 |
78381 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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