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Name | (D-Trp8)-g2-MSH |
---|---|
Molecular formula | C74H99N21O16S |
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 weight | 1570.8 |
Hydrogen bond acceptor | 21 |
Hydrogen bond donor | 23 |
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 Key | GZWUQPQBOGLSIM-MDMVXOTPSA-N |
Inchi ID | InChI=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 CID | 16158468 |
ChEMBL | CHEMBL405282 |
IUPHAR | N/A |
BindingDB | 50163143, 50026884 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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109546 | Melanocortin receptor 3 | P41968 | MC3R | Homo sapiens (Human) | 323 |
524709 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
109547 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
524711 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
109545 | Melanocortin receptor 5 | P33032 | MC5R | Homo sapiens (Human) | 325 |
524710 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
524708 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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