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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

NameCHEMBL270222
Molecular formulaC20H21ClN4O2
IUPAC nameN-[2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methylacetamide
Molecular weight384.864
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50375130
SCHEMBL14373386
Inchi KeyBWIAPHWWJDPMFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClN4O2/c1-14(26)23(2)11-12-24-17-5-3-4-6-18(17)25(20(24)22)13-19(27)15-7-9-16(21)10-8-15/h3-10,22H,11-13H2,1-2H3
PubChem CID44453362
ChEMBLCHEMBL270222
IUPHARN/A
BindingDB50375130
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
34469C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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