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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

NameCHEMBL440956
Molecular formulaC22H24N4O2
IUPAC name3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-pyridin-4-yl-1,3-oxazolidin-2-one
Molecular weight376.46
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsN/A
Inchi KeyAISCNYWNQDLEKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O2/c27-22-26(15-21(28-22)16-5-9-23-10-6-16)19-7-11-25(12-8-19)14-18-13-17-3-1-2-4-20(17)24-18/h1-6,9-10,13,19,21,24H,7-8,11-12,14-15H2
PubChem CID44439864
ChEMBLCHEMBL440956
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
6487C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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