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Ligand

NameCHEMBL342337
Molecular formulaC40H53FN12O6
IUPAC nameN-acetyl-2-amino-N-[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]benzamide
Molecular weight816.94
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP1.5
SynonymsBDBM50054910
N-Acetyl-2-amino-N-[1-[1-[1-(1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-guanidino-phenyl)-ethylcarbamoyl]-2-(4-fluoro-phenyl)-ethyl]-benzamide
Inchi KeyBLVZVTHWWDGOGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H53FN12O6/c1-22(2)19-31(35(56)50-30(34(43)55)9-6-18-48-39(44)45)51-36(57)32(20-24-12-16-27(17-13-24)49-40(46)47)52-37(58)33(21-25-10-14-26(41)15-11-25)53(23(3)54)38(59)28-7-4-5-8-29(28)42/h4-5,7-8,10-17,22,30-33H,6,9,18-21,42H2,1-3H3,(H2,43,55)(H,50,56)(H,51,57)(H,52,58)(H4,44,45,48)(H4,46,47,49)
PubChem CID44363322
ChEMBLN/A
IUPHARN/A
BindingDB50054910
DrugBankN/A

Structure

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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
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GLASS IDNameUniProtGeneSpeciesLength
459453Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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