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Ligand

Name(D-Trp8)-g2-MSH
Molecular formulaC74H99N21O16S
IUPAC name(3S)-3-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(2S)-5-carbamimidamido-1-[[(2S)-1-(carboxymethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1570.8
Hydrogen bond acceptor21
Hydrogen bond donor23
XlogP-1.6
Synonyms[D-Trp8] gamma-Melanocyte Stimulating Hormone
H-Tyr-Val-Met-Gly-His-Phe-Arg-D-Trp-Asp-Arg-Phe-Gly-OH
BDBM50163143
MFCD09264730
Inchi KeyGZWUQPQBOGLSIM-MDMVXOTPSA-N
Inchi IDInChI=1S/C74H99N21O16S/c1-41(2)62(95-63(102)49(75)30-44-22-24-47(96)25-23-44)72(111)90-53(26-29-112-3)64(103)84-38-59(97)87-57(34-46-37-80-40-86-46)70(109)92-55(32-43-16-8-5-9-17-43)68(107)88-52(21-13-28-82-74(78)79)67(106)93-56(33-45-36-83-50-19-11-10-18-48(45)50)69(108)94-58(35-60(98)99)71(110)89-51(20-12-27-81-73(76)77)66(105)91-54(65(104)85-39-61(100)101)31-42-14-6-4-7-15-42/h4-11,14-19,22-25,36-37,40-41,49,51-58,62,83,96H,12-13,20-21,26-35,38-39,75H2,1-3H3,(H,80,86)(H,84,103)(H,85,104)(H,87,97)(H,88,107)(H,89,110)(H,90,111)(H,91,105)(H,92,109)(H,93,106)(H,94,108)(H,95,102)(H,98,99)(H,100,101)(H4,76,77,81)(H4,78,79,82)/t49-,51-,52-,53-,54-,55-,56+,57-,58-,62-/m0/s1
PubChem CID16158468
ChEMBLCHEMBL405282
IUPHARN/A
BindingDB50163143, 50026884
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
109546Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
524709Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
109547Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
524711Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
109545Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
524710Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
524708Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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