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Ligand

NameCHEMBL3582445
Molecular formulaC35H45N11O5
IUPAC name(3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-(diaminomethylideneamino)hexanamide
Molecular weight699.817
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP-0.4
SynonymsBDBM50092134
Inchi KeyFIBNUCOPNWMPIQ-ZPNBPFPUSA-N
Inchi IDInChI=1S/C35H45N11O5/c1-21(47)43-30(16-25-19-39-20-42-25)34(51)46-29(14-22-8-3-2-4-9-22)33(50)44-24(10-7-13-40-35(37)38)17-31(48)45-28(32(36)49)15-23-18-41-27-12-6-5-11-26(23)27/h2-6,8-9,11-12,18-20,24,28-30,41H,7,10,13-17H2,1H3,(H2,36,49)(H,39,42)(H,43,47)(H,44,50)(H,45,48)(H,46,51)(H4,37,38,40)/t24-,28-,29+,30-/m0/s1
PubChem CID122179551
ChEMBLCHEMBL3582445
IUPHARN/A
BindingDB50092134
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
472625Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
472624Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
472623Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
472626Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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