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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

NameCHEMBL3604505
Molecular formulaC22H24Cl2N4O3S
IUPAC name4-tert-butyl-N-[4-chloro-2-[6-chloro-3-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]benzenesulfonamide
Molecular weight495.419
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50113437
Inchi KeyBASDMFKCAMMQKA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24Cl2N4O3S/c1-22(2,3)14-4-7-16(8-5-14)32(30,31)28-18-9-6-15(23)12-17(18)20-21(25-10-11-29)26-13-19(24)27-20/h4-9,12-13,28-29H,10-11H2,1-3H3,(H,25,26)
PubChem CID122185769
ChEMBLCHEMBL3604505
IUPHARN/A
BindingDB50113437
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
465210C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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