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Ligand

NameCHEMBL3736239
Molecular formulaC20H34N6O6
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight454.528
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.0
SynonymsSCHEMBL16154160
Inchi KeyLDNZHVCNCBRULY-OBJOEFQTSA-N
Inchi IDInChI=1S/C20H34N6O6/c1-6-11(2)14(26-19(30)32-20(3,4)5)16-25-13(10-31-16)15(27)24-12(17(28)29)8-7-9-23-18(21)22/h10-12,14H,6-9H2,1-5H3,(H,24,27)(H,26,30)(H,28,29)(H4,21,22,23)/t11-,12-,14-/m0/s1
PubChem CID71566581
ChEMBLCHEMBL3736239
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526798C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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