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Ligand

NamePYR-GLN-PHE-PHE-GLY-LEU-MET-NH2
Molecular formulaC41H57N9O9S
IUPAC name(2S)-N-[(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]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight852.021
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP0.6
SynonymsBDBM50283254
(pGlu5)substance P(5-11)
CHEMBL2369763
ZINC95610157
C-54177
[ Show all ]
Inchi KeyXDUVKSVLDVUFCJ-JNRWAQIZSA-N
Inchi IDInChI=1S/C41H57N9O9S/c1-24(2)20-30(40(58)47-27(36(43)54)18-19-60-3)46-35(53)23-44-37(55)31(21-25-10-6-4-7-11-25)49-41(59)32(22-26-12-8-5-9-13-26)50-39(57)29(14-16-33(42)51)48-38(56)28-15-17-34(52)45-28/h4-13,24,27-32H,14-23H2,1-3H3,(H2,42,51)(H2,43,54)(H,44,55)(H,45,52)(H,46,53)(H,47,58)(H,48,56)(H,49,59)(H,50,57)/t27-,28-,29-,30-,31-,32-/m0/s1
PubChem CID12850940
ChEMBLCHEMBL2369763
IUPHARN/A
BindingDB50283254
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
389291Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
389290Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
389289Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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