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Ligand

NameCHEMBL1774211
Molecular formulaC57H65F3N8O7
IUPAC nameN-[2-[4-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-2,6-dimethylpyridin-1-ium-1-yl]ethyl]-N'-[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]pentanediamide;2,2,2-trifluoroacetate
Molecular weight1031.19
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyBXHZCNWQGSRNJG-AKZQISGYSA-N
Inchi IDInChI=1S/C55H64N8O5.C2HF3O2/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44;3-2(4,5)1(6)7/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68);(H,6,7)/t48-;/m1./s1
PubChem CID52953217
ChEMBLCHEMBL1774211
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35086Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
35087Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
35085Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
35088Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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