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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

NameCHEMBL240460
Molecular formulaC26H26N4O3
IUPAC name3-[1-(1H-indol-2-ylmethyl)pyrrolidin-3-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
Molecular weight442.519
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsN/A
Inchi KeyINUSZQXXBJRUKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O3/c1-32-20-6-7-24-22(13-20)21(8-10-27-24)25-16-30(26(31)33-25)19-9-11-29(15-19)14-18-12-17-4-2-3-5-23(17)28-18/h2-8,10,12-13,19,25,28H,9,11,14-16H2,1H3
PubChem CID44439841
ChEMBLCHEMBL240460
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
137652C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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