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Ligand

NameCHEMBL3799563
Molecular formulaC46H67N13O10
IUPAC name(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight962.123
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP-1.4
SynonymsBDBM50164806
Inchi KeyAQJDAJIMJIJQME-RUPCYPOASA-N
Inchi IDInChI=1S/C46H67N13O10/c47-14-7-17-66-19-21-68-22-20-67-18-8-16-52-40(60)28-69-29-41(61)56-39(25-33-27-51-30-55-33)45(65)59-38(23-31-9-2-1-3-10-31)44(64)57-36(13-6-15-53-46(49)50)43(63)58-37(42(48)62)24-32-26-54-35-12-5-4-11-34(32)35/h1-5,9-12,26-27,30,36-39,54H,6-8,13-25,28-29,47H2,(H2,48,62)(H,51,55)(H,52,60)(H,56,61)(H,57,64)(H,58,63)(H,59,65)(H4,49,50,53)/t36-,37-,38+,39-/m0/s1
PubChem CID127047913
ChEMBLCHEMBL3799563
IUPHARN/A
BindingDB50164806
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
521797Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
521795Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
521798Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
521796Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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