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Ligand

NameBDBM50290481
Molecular formulaC30H44N6O3
IUPAC name2-[4-[3-[(2R)-3-cyclohexyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]butyl]guanidine
Molecular weight536.721
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP4.1
Synonyms5-[4-amino(imino)methylaminobutyl]-3-[1-cyclohexylmethyl-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-yl-(1R)-ethyl]-(5R)-tetrahydro-1H-2,4-imidazoledione
Inchi KeyANHCIXWBJNUVMD-RUZDIDTESA-N
Inchi IDInChI=1S/C30H44N6O3/c31-28(32)33-17-7-6-12-24-26(37)36(29(39)34-24)25(20-21-8-2-1-3-9-21)27(38)35-18-15-30(16-19-35)14-13-22-10-4-5-11-23(22)30/h4-5,10-11,21,25,37H,1-3,6-9,12-20H2,(H,34,39)(H4,31,32,33)/t25-/m1/s1
PubChem CID91934578
ChEMBLN/A
IUPHARN/A
BindingDB50290481
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
459300C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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