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Ligand

NameCHEMBL3604492
Molecular formulaC20H21ClN4O3S
IUPAC nameN-[2-(6-amino-5-hydroxypyrimidin-4-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
Molecular weight432.923
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50113357
Inchi KeyFRBFFLDWVHPQRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21ClN4O3S/c1-20(2,3)12-4-7-14(8-5-12)29(27,28)25-16-9-6-13(21)10-15(16)17-18(26)19(22)24-11-23-17/h4-11,25-26H,1-3H3,(H2,22,23,24)
PubChem CID122185756
ChEMBLCHEMBL3604492
IUPHARN/A
BindingDB50113357
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
473434C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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