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Ligand

NameBDBM50442552
Molecular formulaC86H104N18O12
IUPAC name4-N-[2-[2-aminoethyl-[2-[[4-[4-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]butylcarbamoyl]benzoyl]amino]ethyl]amino]ethyl]-1-N-[4-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]butyl]benzene-1,4-dicarboxamide
Molecular weight1581.89
Hydrogen bond acceptor16
Hydrogen bond donor19
XlogP7.7
SynonymsN/A
Inchi KeyHBKRFEAGUHECHZ-NKCYNRQTSA-N
Inchi IDInChI=1S/C86H104N18O12/c87-45-54-104(55-52-92-77(109)67-37-33-65(34-38-67)75(107)90-46-13-15-48-96-85(115)102-83(88)94-50-17-27-71(79(111)98-57-59-29-41-69(105)42-30-59)100-81(113)73(61-19-5-1-6-20-61)62-21-7-2-8-22-62)56-53-93-78(110)68-39-35-66(36-40-68)76(108)91-47-14-16-49-97-86(116)103-84(89)95-51-18-28-72(80(112)99-58-60-31-43-70(106)44-32-60)101-82(114)74(63-23-9-3-10-24-63)64-25-11-4-12-26-64/h1-12,19-26,29-44,71-74,105-106H,13-18,27-28,45-58,87H2,(H,90,107)(H,91,108)(H,92,109)(H,93,110)(H,98,111)(H,99,112)(H,100,113)(H,101,114)(H4,88,94,96,102,115)(H4,89,95,97,103,116)/t71-,72-/m1/s1
PubChem CID91898585
ChEMBLN/A
IUPHARN/A
BindingDB50442552
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
110616Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
110615Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
110613Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
110614Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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