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Ligand

NameCHEMBL3735764
Molecular formulaC28H34N6O6
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-2-methyl-1-[(2-phenoxybenzoyl)amino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight550.616
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.8
SynonymsSCHEMBL16154168
Inchi KeyMUPODANUVUXOHP-NYDSKATKSA-N
Inchi IDInChI=1S/C28H34N6O6/c1-3-17(2)23(34-24(35)19-12-7-8-14-22(19)40-18-10-5-4-6-11-18)26-33-21(16-39-26)25(36)32-20(27(37)38)13-9-15-31-28(29)30/h4-8,10-12,14,16-17,20,23H,3,9,13,15H2,1-2H3,(H,32,36)(H,34,35)(H,37,38)(H4,29,30,31)/t17-,20-,23-/m0/s1
PubChem CID71565582
ChEMBLCHEMBL3735764
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
527667C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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