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Ligand

NameCHEMBL414319
Molecular formulaC38H65N11O7
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
Molecular weight788.008
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP2.2
SynonymsBDBM50440852
Inchi KeyGZLXUPLXIJTZFV-HLLWDDMZSA-N
Inchi IDInChI=1S/C38H65N11O7/c1-9-23(7)30(32(39)51)48-35(54)27(18-21(3)4)47-34(53)26(15-13-17-43-38(40)41)45-29(50)20-44-37(56)31(24(8)10-2)49-36(55)28(19-22(5)6)46-33(52)25-14-11-12-16-42-25/h11-12,14,16,21-24,26-28,30-31H,9-10,13,15,17-20H2,1-8H3,(H2,39,51)(H,44,56)(H,45,50)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H4,40,41,43)/t23-,24-,26-,27-,28-,30-,31-/m0/s1
PubChem CID44433912
ChEMBLCHEMBL414319
IUPHARN/A
BindingDB50440852
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
109210Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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