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Ligand

NameCHEMBL2440937
Molecular formulaC37H48F3N9O8
IUPAC name(2R)-5-[[amino-[2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
Molecular weight803.841
Hydrogen bond acceptor13
Hydrogen bond donor9
XlogPNone
SynonymsN/A
Inchi KeyLYELQEMRAKINTH-XXIQNXCHSA-N
Inchi IDInChI=1S/C35H47N9O6.C2HF3O2/c36-33(37)39-18-20-49-22-23-50-21-19-41-35(48)44-34(38)40-17-7-12-29(31(46)42-24-25-13-15-28(45)16-14-25)43-32(47)30(26-8-3-1-4-9-26)27-10-5-2-6-11-27;3-2(4,5)1(6)7/h1-6,8-11,13-16,29-30,45H,7,12,17-24H2,(H,42,46)(H,43,47)(H4,36,37,39)(H4,38,40,41,44,48);(H,6,7)/t29-;/m1./s1
PubChem CID73351132
ChEMBLCHEMBL2440937
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
199253Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
199252Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
199251Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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