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Ligand

NameCID 73348025
Molecular formulaC84H113F3N18O14
IUPAC nameN-[6-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]hexyl]-N'-[2-[2-[[4-[6-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]hexylamino]-4-oxobutanoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]butanediamide;2,2,2-trifluoroacetic acid
Molecular weight1655.94
Hydrogen bond acceptor19
Hydrogen bond donor18
XlogPNone
SynonymsN/A
Inchi KeyKTDUOPZXELVWII-UKLKETJRSA-N
Inchi IDInChI=1S/C82H112N18O12.C2HF3O2/c83-45-54-100(55-52-88-71(105)43-41-69(103)86-46-17-1-3-19-48-92-81(111)98-79(84)90-50-21-31-67(75(107)94-57-59-33-37-65(101)38-34-59)96-77(109)73(61-23-9-5-10-24-61)62-25-11-6-12-26-62)56-53-89-72(106)44-42-70(104)87-47-18-2-4-20-49-93-82(112)99-80(85)91-51-22-32-68(76(108)95-58-60-35-39-66(102)40-36-60)97-78(110)74(63-27-13-7-14-28-63)64-29-15-8-16-30-64;3-2(4,5)1(6)7/h5-16,23-30,33-40,67-68,73-74,101-102H,1-4,17-22,31-32,41-58,83H2,(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,94,107)(H,95,108)(H,96,109)(H,97,110)(H4,84,90,92,98,111)(H4,85,91,93,99,112);(H,6,7)/t67-,68-;/m1./s1
PubChem CID73348025
ChEMBLCHEMBL2440925
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
177625Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
177628Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
177626Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
177627Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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