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Ligand

NameCHEMBL3356082
Molecular formulaC51H71N13O10
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight1026.21
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP0.2
SynonymsBDBM50049426
Inchi KeyODHCNHMXLLLMPG-OLDVANGTSA-N
Inchi IDInChI=1S/C51H71N13O10/c1-29(2)24-38(62-48(72)40(27-32-14-8-5-9-15-32)61-44(68)35(52)25-33-18-20-34(65)21-19-33)47(71)63-39(26-31-12-6-4-7-13-31)46(70)58-30(3)50(74)64-23-11-17-41(64)49(73)59-36(16-10-22-57-51(55)56)45(69)60-37(43(54)67)28-42(53)66/h4-9,12-15,18-21,29-30,35-41,65H,10-11,16-17,22-28,52H2,1-3H3,(H2,53,66)(H2,54,67)(H,58,70)(H,59,73)(H,60,69)(H,61,68)(H,62,72)(H,63,71)(H4,55,56,57)/t30-,35-,36-,37-,38-,39-,40-,41-/m0/s1
PubChem CID118721282
ChEMBLCHEMBL3356082
IUPHARN/A
BindingDB50049426
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
451071Neuromedin-U receptor 1O55040Nmur1Mus musculus (Mouse)428
451072Neuromedin-U receptor 2Q8BZ39Nmur2Mus musculus (Mouse)395

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