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Ligand

NameSubstance P (5-11)
Molecular formulaC41H60N10O9S
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 weight869.052
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-0.5
SynonymsAC1Q5IQB
1-Dearginyl-2,4-deprolyl-3-delysine-substance P
CHEMBL311405
Substance P, 1-de-L-arginine-2-de-L-proline-3-de-L-lysine-4-de-L-proline-
51165-09-4
[ Show all ]
Inchi KeyFHHJIELOJQJHCG-JNRWAQIZSA-N
Inchi IDInChI=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 CID162632
ChEMBLCHEMBL311405
IUPHARN/A
BindingDB50283252
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
78380Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
78382Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
78381Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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