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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL273195
Molecular formulaC21H21ClF3N3O3
IUPAC nameN-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
Molecular weight455.862
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50375738
Inchi KeyABSDATGZYRKKAQ-QGZVFWFLSA-N
Inchi IDInChI=1S/C21H21ClF3N3O3/c22-16-6-4-14(5-7-16)12-28-9-8-17(13-28)27-19(29)11-26-20(30)15-2-1-3-18(10-15)31-21(23,24)25/h1-7,10,17H,8-9,11-13H2,(H,26,30)(H,27,29)/t17-/m1/s1
PubChem CID44453134
ChEMBLCHEMBL273195
IUPHARN/A
BindingDB50375738
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
1120C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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