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Ligand

Namecompound 6b
Molecular formulaC40H72N12O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-amino-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoyl]amino]-5-methylhexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight849.092
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-0.1
SynonymsGTPL7927
compound 6b [PMID: 24999562]
D0I0LW
Inchi KeyKAFZOLYKKCWUBI-HPMAGDRPSA-N
Inchi IDInChI=1S/C40H72N12O8/c1-23(2)14-16-27(48-37(58)29(20-24(3)4)47-33(54)17-15-25-10-6-5-7-11-25)36(57)51-30(22-41)39(60)52-19-9-13-31(52)38(59)49-26(12-8-18-46-40(44)45)35(56)50-28(34(43)55)21-32(42)53/h23-31H,5-22,41H2,1-4H3,(H2,42,53)(H2,43,55)(H,47,54)(H,48,58)(H,49,59)(H,50,56)(H,51,57)(H4,44,45,46)/t26-,27-,28-,29-,30-,31-/m0/s1
PubChem CID91623353
ChEMBLN/A
IUPHAR7927
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554110Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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