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Ligand

NameCHEMBL3358537
Molecular formulaC51H69N17O8
IUPAC name(2S)-2-[[(2S)-2-acetamidohexanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopent-4-yn-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-azidohexanamide
Molecular weight1048.22
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP2.5
SynonymsBDBM50031494
Inchi KeyDIDFXWFVHNRNMN-PMHRFVFWSA-N
Inchi IDInChI=1S/C51H69N17O8/c1-4-6-19-38(61-31(3)69)45(71)63-39(21-12-13-24-60-68-55)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-16-8-7-9-17-32)48(74)64-40(22-14-23-57-51(53)54)47(73)66-42(49(75)62-37(15-5-2)44(52)70)26-33-28-58-36-20-11-10-18-35(33)36/h2,7-11,16-18,20,28-30,37-43,58H,4,6,12-15,19,21-27H2,1,3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/m0/s1
PubChem CID118722928
ChEMBLCHEMBL3358537
IUPHARN/A
BindingDB50031494
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
444088Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
444090Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
444089Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
444087Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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