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Ligand

NameCHEMBL2440909
Molecular formulaC44H60F3N11O10
IUPAC nameN'-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-[[N'-[(4S)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]butanediamide;2,2,2-trifluoroacetic acid
Molecular weight960.026
Hydrogen bond acceptor15
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyDFFWMMJLBLFNAV-GXUZKUJRSA-N
Inchi IDInChI=1S/C42H59N11O8.C2HF3O2/c43-19-24-60-26-27-61-25-23-47-36(55)18-17-35(54)46-21-22-49-42(59)53-40(44)48-20-7-12-34(38(56)50-28-30-13-15-31(16-14-30)29-51-41(45)58)52-39(57)37(32-8-3-1-4-9-32)33-10-5-2-6-11-33;3-2(4,5)1(6)7/h1-6,8-11,13-16,34,37H,7,12,17-29,43H2,(H,46,54)(H,47,55)(H,50,56)(H,52,57)(H3,45,51,58)(H4,44,48,49,53,59);(H,6,7)/t34-;/m0./s1
PubChem CID73349569
ChEMBLCHEMBL2440909
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
58517Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
58518Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
58515Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
58516Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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