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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

Name7-(4-bromophenyl)-8-(4-hydroxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Molecular formulaC21H16BrN5O3
IUPAC name7-(4-bromophenyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Molecular weight466.295
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsAC1LKN2V
Oprea1_164311
CHEMBL1315398
A2814/0118975
MolPort-002-714-985
[ Show all ]
Inchi KeyAJWXFHKLJUEOLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16BrN5O3/c1-24-18-17(19(29)25(2)21(24)30)26-11-16(12-3-5-13(22)6-4-12)27(20(26)23-18)14-7-9-15(28)10-8-14/h3-11,28H,1-2H3
PubChem CID1046209
ChEMBLCHEMBL1315398
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
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GLASS IDNameUniProtGeneSpeciesLength
7301Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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