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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

NameCHEMBL259243
Molecular formulaC29H31ClN2O2
IUPAC name(4-chlorophenyl)-[9-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
Molecular weight475.029
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50414958
SCHEMBL14371976
Inchi KeyCSMSBZWRUZAKQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31ClN2O2/c30-25-12-10-23(11-13-25)28(33)32-20-16-29(17-21-32)14-18-31(19-15-29)22-24-6-4-5-9-27(24)34-26-7-2-1-3-8-26/h1-13H,14-22H2
PubChem CID11273324
ChEMBLCHEMBL259243
IUPHARN/A
BindingDB50414958
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
49579C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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