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Ligand

NameCHEMBL2370965
Molecular formulaC81H107N19O15
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]hexanoyl]amino]acetyl]amino]-2-methyl-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1586.86
Hydrogen bond acceptor18
Hydrogen bond donor19
XlogP0.9
SynonymsH-Tyr-Val-Nle-Gly-MePhe-Phe-Arg-D-Nal(2)-Asp-Arg-Phe-Gly-NH2
BDBM50134957
CHEMBL441938
Inchi KeyARYIUPJTXJSVAP-NYKBICRUSA-N
Inchi IDInChI=1S/C81H107N19O15/c1-5-6-28-58(94-77(114)68(48(2)3)99-69(106)57(82)40-51-32-35-56(101)36-33-51)70(107)91-47-66(103)100-81(4,45-52-24-14-9-15-25-52)78(115)98-63(42-50-22-12-8-13-23-50)75(112)92-60(30-19-38-89-80(86)87)73(110)96-62(43-53-31-34-54-26-16-17-27-55(54)39-53)74(111)97-64(44-67(104)105)76(113)93-59(29-18-37-88-79(84)85)72(109)95-61(71(108)90-46-65(83)102)41-49-20-10-7-11-21-49/h7-17,20-27,31-36,39,48,57-64,68,101H,5-6,18-19,28-30,37-38,40-47,82H2,1-4H3,(H2,83,102)(H,90,108)(H,91,107)(H,92,112)(H,93,113)(H,94,114)(H,95,109)(H,96,110)(H,97,111)(H,98,115)(H,99,106)(H,100,103)(H,104,105)(H4,84,85,88)(H4,86,87,89)/t57-,58-,59-,60-,61-,62+,63-,64-,68-,81-/m0/s1
PubChem CID73353101
ChEMBLCHEMBL2370965
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12893Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
12891Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
12892Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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