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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

NameCHEMBL3814598
Molecular formulaC19H19ClN2O2
IUPAC name1-[(6-tert-butylpyridin-3-yl)methyl]-7-chloroindole-2-carboxylic acid
Molecular weight342.823
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50178718
Inchi KeyCNMCGHJNYYCEPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O2/c1-19(2,3)16-8-7-12(10-21-16)11-22-15(18(23)24)9-13-5-4-6-14(20)17(13)22/h4-10H,11H2,1-3H3,(H,23,24)
PubChem CID127049674
ChEMBLCHEMBL3814598
IUPHARN/A
BindingDB50178718
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
522858C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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