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Ligand

NameCID 73443032
Molecular formulaC90H112N18O16
IUPAC name1-N-[2-[2-[[4-[2-[2-[2-[[(Z)-[amino-[[(4S)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]ethoxy]ethoxy]ethylcarbamoyl]benzoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]-4-N-[2-[2-[2-[[N-[(4S)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide
Molecular weight1702.0
Hydrogen bond acceptor19
Hydrogen bond donor18
XlogP5.5
SynonymsN/A
Inchi KeyLWSIXIMCXWLGDB-KAUZTFBMSA-N
Inchi IDInChI=1S/C90H112N18O16/c91-41-50-108(51-44-94-79(111)69-29-33-71(34-30-69)81(113)96-46-53-121-57-59-123-55-48-100-89(119)106-87(92)98-42-13-23-75(83(115)102-61-63-25-37-73(109)38-26-63)104-85(117)77(65-15-5-1-6-16-65)66-17-7-2-8-18-66)52-45-95-80(112)70-31-35-72(36-32-70)82(114)97-47-54-122-58-60-124-56-49-101-90(120)107-88(93)99-43-14-24-76(84(116)103-62-64-27-39-74(110)40-28-64)105-86(118)78(67-19-9-3-10-20-67)68-21-11-4-12-22-68/h1-12,15-22,25-40,75-78,109-110H,13-14,23-24,41-62,91H2,(H,94,111)(H,95,112)(H,96,113)(H,97,114)(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H4,92,98,100,106,119)(H4,93,99,101,107,120)/t75-,76-/m0/s1
PubChem CID73443032
ChEMBLN/A
IUPHARN/A
BindingDB50442577
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
198327Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
198326Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
198328Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
198329Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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