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Ligand

NameCHEMBL3758546
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]-3-phenylpropanoyl]-methylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]-methylamino]butanediamide
Molecular weight1299.72
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP5.9
SynonymsN/A
Inchi KeyIVESVAAXJYKNDI-NHTIQBDDSA-N
Inchi IDInChI=1S/C67H110N16O10/c1-8-9-10-11-12-13-14-15-16-17-18-19-26-37-56(85)80-67(4,5)64(93)79-50(42-46-30-22-20-23-31-46)59(88)77-49(41-45(2)3)58(87)78-51(43-47-32-24-21-25-33-47)62(91)81(6)53(35-28-39-75-66(72)73)63(92)83-40-29-36-52(83)60(89)76-48(34-27-38-74-65(70)71)61(90)82(7)54(57(69)86)44-55(68)84/h20-25,30-33,45,48-54H,8-19,26-29,34-44H2,1-7H3,(H2,68,84)(H2,69,86)(H,76,89)(H,77,88)(H,78,87)(H,79,93)(H,80,85)(H4,70,71,74)(H4,72,73,75)/t48-,49-,50-,51-,52-,53-,54-/m0/s1
PubChem CID127025779
ChEMBLCHEMBL3758546
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
525643Neuromedin-U receptor 1Q9HB89NMUR1Homo sapiens (Human)426
525644Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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