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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

NameCHEMBL255798
Molecular formulaC25H23Cl2N5O2
IUPAC nameN-[3-[7-chloro-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]propyl]-N-methylpyridine-2-carboxamide
Molecular weight496.392
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL14373822
BDBM50375117
Inchi KeyXYQVLJGFPYRMDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23Cl2N5O2/c1-30(24(34)20-7-2-3-13-29-20)14-5-15-31-23-19(27)6-4-8-21(23)32(25(31)28)16-22(33)17-9-11-18(26)12-10-17/h2-4,6-13,28H,5,14-16H2,1H3
PubChem CID44453616
ChEMBLCHEMBL255798
IUPHARN/A
BindingDB50375117
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
404101C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
404102C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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