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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

NameCHEMBL3353467
Molecular formulaC27H33ClN2O4
IUPAC namemethyl 4-[(4-chlorophenyl)methyl-[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]amino]butanoate
Molecular weight485.021
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50032318
SCHEMBL11302607
Inchi KeyDKAAOUNPDWBHMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33ClN2O4/c1-19-14-20(2)16-22(15-19)17-24(31)30-13-11-27(30,3)26(33)29(12-5-6-25(32)34-4)18-21-7-9-23(28)10-8-21/h7-10,14-16H,5-6,11-13,17-18H2,1-4H3
PubChem CID70559096
ChEMBLCHEMBL3353467
IUPHARN/A
BindingDB50032318
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
444144Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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