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Ligand

NameCHEMBL3287059
Molecular formulaC34H48N12O5
IUPAC name(2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight704.837
Hydrogen bond acceptor7
Hydrogen bond donor10
XlogP-1.3
SynonymsBDBM50017137
Inchi KeyADZYCZZGJSGGOW-LAJGZZDBSA-N
Inchi IDInChI=1S/C34H48N12O5/c1-20(47)43-25(13-7-15-40-33(36)37)30(49)46-28(17-21-9-3-2-4-10-21)32(51)44-26(14-8-16-41-34(38)39)31(50)45-27(29(35)48)18-22-19-42-24-12-6-5-11-23(22)24/h2-6,9-12,19,25-28,42H,7-8,13-18H2,1H3,(H2,35,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,36,37,40)(H4,38,39,41)/t25-,26-,27-,28+/m0/s1
PubChem CID90643810
ChEMBLCHEMBL3287059
IUPHARN/A
BindingDB50017137
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3269Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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