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Ligand

NameCHEMBL2440935
Molecular formulaC38H50F3N9O6
IUPAC name(2R)-5-[[amino-(6-aminohexylcarbamoylamino)methylidene]amino]-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-2-[(2,2-diphenylacetyl)amino]pentanamide;2,2,2-trifluoroacetic acid
Molecular weight785.87
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogPNone
SynonymsN/A
Inchi KeyJODPBNQQLHVQMY-VNUFCWELSA-N
Inchi IDInChI=1S/C36H49N9O4.C2HF3O2/c37-21-9-1-2-10-22-41-36(49)45-34(38)40-23-11-16-30(32(46)42-24-26-17-19-27(20-18-26)25-43-35(39)48)44-33(47)31(28-12-5-3-6-13-28)29-14-7-4-8-15-29;3-2(4,5)1(6)7/h3-8,12-15,17-20,30-31H,1-2,9-11,16,21-25,37H2,(H,42,46)(H,44,47)(H3,39,43,48)(H4,38,40,41,45,49);(H,6,7)/t30-;/m1./s1
PubChem CID73352599
ChEMBLCHEMBL2440935
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
155781Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
155780Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375

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