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Ligand

NameCHEMBL3798421
Molecular formulaC80H107N23O15
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[2-[3-[2-[2-[3-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propoxy]ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-carbamimidamidopentanamide
Molecular weight1630.88
Hydrogen bond acceptor19
Hydrogen bond donor21
XlogP0.4
SynonymsBDBM50164804
Inchi KeyCDSFGYYJZFLWLX-HJJFOVLISA-N
Inchi IDInChI=1S/C80H107N23O15/c1-50(104)96-67(40-55-44-86-48-94-55)77(113)101-64(36-51-16-4-2-5-17-51)75(111)99-62(25-13-27-91-80(84)85)74(110)103-66(39-54-43-93-60-23-11-9-21-58(54)60)72(108)89-29-15-31-116-33-35-117-34-32-115-30-14-28-88-69(105)46-118-47-70(106)97-68(41-56-45-87-49-95-56)78(114)102-65(37-52-18-6-3-7-19-52)76(112)98-61(24-12-26-90-79(82)83)73(109)100-63(71(81)107)38-53-42-92-59-22-10-8-20-57(53)59/h2-11,16-23,42-45,48-49,61-68,92-93H,12-15,24-41,46-47H2,1H3,(H2,81,107)(H,86,94)(H,87,95)(H,88,105)(H,89,108)(H,96,104)(H,97,106)(H,98,112)(H,99,111)(H,100,109)(H,101,113)(H,102,114)(H,103,110)(H4,82,83,90)(H4,84,85,91)/t61-,62-,63-,64+,65+,66-,67-,68-/m0/s1
PubChem CID127047475
ChEMBLCHEMBL3798421
IUPHARN/A
BindingDB50164804
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
522720Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
522718Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
522719Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
522721Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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