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Ligand

NameCHEMBL3040691
Molecular formulaC84H116N22O12
IUPAC nameN-[2-[2-aminoethyl-[2-[[4-[[2-[4-[[4-[[[(2R)-5-carbamimidamido-2-[(2,2-diphenylacetyl)amino]pentanoyl]amino]methyl]phenyl]methylcarbamoylamino]butylamino]-2-oxoethyl]amino]-4-oxobutanoyl]amino]ethyl]amino]ethyl]-N'-[2-[4-[[4-[[[(2R)-5-carbamimidamido-2-[(2,2-diphenylacetyl)amino]pentanoyl]amino]methyl]phenyl]methylcarbamoylamino]butylamino]-2-oxoethyl]butanediamide
Molecular weight1625.99
Hydrogen bond acceptor16
Hydrogen bond donor21
XlogP0.4
SynonymsN/A
Inchi KeyLQKSBGRJEVVGPS-OQFFVEAFSA-N
Inchi IDInChI=1S/C84H116N22O12/c85-41-50-106(51-48-92-69(107)37-39-71(109)98-57-73(111)90-42-13-15-44-96-83(117)102-55-61-33-29-59(30-34-61)53-100-77(113)67(27-17-46-94-81(86)87)104-79(115)75(63-19-5-1-6-20-63)64-21-7-2-8-22-64)52-49-93-70(108)38-40-72(110)99-58-74(112)91-43-14-16-45-97-84(118)103-56-62-35-31-60(32-36-62)54-101-78(114)68(28-18-47-95-82(88)89)105-80(116)76(65-23-9-3-10-24-65)66-25-11-4-12-26-66/h1-12,19-26,29-36,67-68,75-76H,13-18,27-28,37-58,85H2,(H,90,111)(H,91,112)(H,92,107)(H,93,108)(H,98,109)(H,99,110)(H,100,113)(H,101,114)(H,104,115)(H,105,116)(H4,86,87,94)(H4,88,89,95)(H2,96,102,117)(H2,97,103,118)/t67-,68-/m1/s1
PubChem CID72205873
ChEMBLN/A
IUPHARN/A
BindingDB50442576
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.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
193928Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
193929Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
193926Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
193927Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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