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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

NameCHEMBL572537
Molecular formulaC24H29N3O2
IUPAC name[9-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
Molecular weight391.515
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50414973
SCHEMBL4229803
Inchi KeyIZCXWLUHLXSGCA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3O2/c28-23(20-4-11-25-12-5-20)27-15-9-24(10-16-27)7-13-26(14-8-24)18-21-3-1-2-19-6-17-29-22(19)21/h1-5,11-12H,6-10,13-18H2
PubChem CID16065428
ChEMBLCHEMBL572537
IUPHARN/A
BindingDB50414973
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
145205C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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