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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

NameCHEMBL3940706
Molecular formulaC20H26Cl2N4O3S
IUPAC name4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-pyrrol-1-ylbutan-2-yl]benzenesulfonamide
Molecular weight473.413
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsSCHEMBL1313743
BDBM50199019
Inchi KeyRVJBPCUWQVZYTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26Cl2N4O3S/c1-14-4-10-26(11-5-14)20(27)18(6-9-25-7-2-3-8-25)24-30(28,29)15-12-16(21)19(23)17(22)13-15/h2-3,7-8,12-14,18,24H,4-6,9-11,23H2,1H3
PubChem CID58508981
ChEMBLCHEMBL3940706
IUPHARN/A
BindingDBN/A
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
544263C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362

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