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Ligand

NameCHEMBL3040656
Molecular formulaC82H114N20O10
IUPAC nameN'-[2-[2-aminoethyl-[2-[[5-[4-[[4-[[[(2R)-5-carbamimidamido-2-[(2,2-diphenylacetyl)amino]pentanoyl]amino]methyl]phenyl]methylcarbamoylamino]butylamino]-5-oxopentanoyl]amino]ethyl]amino]ethyl]-N-[4-[[4-[[[(2R)-5-carbamimidamido-2-[(2,2-diphenylacetyl)amino]pentanoyl]amino]methyl]phenyl]methylcarbamoylamino]butyl]pentanediamide
Molecular weight1539.94
Hydrogen bond acceptor14
Hydrogen bond donor19
XlogP2.4
SynonymsN/A
Inchi KeyIDQWZWSYCBLFKF-OQFFVEAFSA-N
Inchi IDInChI=1S/C82H114N20O10/c83-43-52-102(53-50-90-71(105)33-17-31-69(103)88-44-13-15-46-94-81(111)98-57-61-39-35-59(36-40-61)55-96-75(107)67(29-19-48-92-79(84)85)100-77(109)73(63-21-5-1-6-22-63)64-23-7-2-8-24-64)54-51-91-72(106)34-18-32-70(104)89-45-14-16-47-95-82(112)99-58-62-41-37-60(38-42-62)56-97-76(108)68(30-20-49-93-80(86)87)101-78(110)74(65-25-9-3-10-26-65)66-27-11-4-12-28-66/h1-12,21-28,35-42,67-68,73-74H,13-20,29-34,43-58,83H2,(H,88,103)(H,89,104)(H,90,105)(H,91,106)(H,96,107)(H,97,108)(H,100,109)(H,101,110)(H4,84,85,92)(H4,86,87,93)(H2,94,98,111)(H2,95,99,112)/t67-,68-/m1/s1
PubChem CID72205871
ChEMBLN/A
IUPHARN/A
BindingDB50442574
DrugBankN/A

Structure

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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.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
130740Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
130738Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
130739Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
130737Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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