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Ligand

NameCHEMBL2440119
Molecular formulaC33H54N12O8
IUPAC name(1R,2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
Molecular weight746.871
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP-2.9
SynonymsBDBM50441958
Inchi KeyDVFMZXMRSBGZSI-MPAKYALESA-N
Inchi IDInChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1
PubChem CID72711815
ChEMBLCHEMBL2440119
IUPHARN/A
BindingDB50441958
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
69890Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
69891Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
69889Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
69888Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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