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Ligand

NameCHEMBL311917
Molecular formulaC36H50N6O7S
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-oxoethoxy]-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight710.891
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.6
SynonymsBDBM50007972
pGlu6-Phe-Phe8(psi)CH2O-Gly-Leu-Met-NH2
Inchi KeyWLGDNOCWZZOAOT-IIZANFQQSA-N
Inchi IDInChI=1S/C36H50N6O7S/c1-23(2)18-29(36(48)41-27(33(37)45)16-17-50-3)40-32(44)22-49-21-26(19-24-10-6-4-7-11-24)38-35(47)30(20-25-12-8-5-9-13-25)42-34(46)28-14-15-31(43)39-28/h4-13,23,26-30H,14-22H2,1-3H3,(H2,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,48)(H,42,46)/t26-,27-,28-,29-,30-/m0/s1
PubChem CID14860666
ChEMBLCHEMBL311917
IUPHARN/A
BindingDB50007972
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
376095Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
376096Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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