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Ligand

NameCID 73355619
Molecular formulaC86H117F3N18O18
IUPAC nameN'-[2-[2-[2-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethyl]-N-[2-[2-[[5-[2-[2-[2-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethylamino]-5-oxopentanoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]pentanediamide;2,2,2-trifluoroacetic acid
Molecular weight1747.98
Hydrogen bond acceptor23
Hydrogen bond donor18
XlogPNone
SynonymsN/A
Inchi KeyDFTTXCVAQGMFHN-UDCAZBBNSA-N
Inchi IDInChI=1S/C84H116N18O16.C2HF3O2/c85-39-48-102(49-42-88-71(105)27-13-29-73(107)90-44-51-115-55-57-117-53-46-94-83(113)100-81(86)92-40-15-25-69(77(109)96-59-61-31-35-67(103)36-32-61)98-79(111)75(63-17-5-1-6-18-63)64-19-7-2-8-20-64)50-43-89-72(106)28-14-30-74(108)91-45-52-116-56-58-118-54-47-95-84(114)101-82(87)93-41-16-26-70(78(110)97-60-62-33-37-68(104)38-34-62)99-80(112)76(65-21-9-3-10-22-65)66-23-11-4-12-24-66;3-2(4,5)1(6)7/h1-12,17-24,31-38,69-70,75-76,103-104H,13-16,25-30,39-60,85H2,(H,88,105)(H,89,106)(H,90,107)(H,91,108)(H,96,109)(H,97,110)(H,98,111)(H,99,112)(H4,86,92,94,100,113)(H4,87,93,95,101,114);(H,6,7)/t69-,70-;/m1./s1
PubChem CID73355619
ChEMBLCHEMBL2440928
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
58894Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
58893Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
58892Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
58891Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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