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Ligand

NameCHEMBL3759505
Molecular formulaC67H110N16O10
IUPAC name(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-(hexadecanoylamino)-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methyl-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]-methylamino]butanediamide
Molecular weight1299.72
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP5.9
SynonymsN/A
Inchi KeyOZHGPZIBAKJIOR-VCFWISSKSA-N
Inchi IDInChI=1S/C67H110N16O10/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-37-55(85)80-66(4,5)62(92)79-51(42-46-30-22-20-23-31-46)57(87)77-50(41-45(2)3)58(88)81-67(6,44-47-32-24-21-25-33-47)63(93)78-49(35-28-39-75-65(72)73)61(91)83-40-29-36-52(83)59(89)76-48(34-27-38-74-64(70)71)60(90)82(7)53(56(69)86)43-54(68)84/h20-25,30-33,45,48-53H,8-19,26-29,34-44H2,1-7H3,(H2,68,84)(H2,69,86)(H,76,89)(H,77,87)(H,78,93)(H,79,92)(H,80,85)(H,81,88)(H4,70,71,74)(H4,72,73,75)/t48-,49-,50-,51-,52-,53-,67-/m0/s1
PubChem CID127027016
ChEMBLCHEMBL3759505
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
528785Neuromedin-U receptor 1Q9HB89NMUR1Homo sapiens (Human)426
528786Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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