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Ligand

NameCHEMBL3604495
Molecular formulaC21H22ClN3O4S
IUPAC name4-tert-butyl-N-[4-chloro-2-[5-hydroxy-6-(hydroxymethyl)pyrimidin-4-yl]phenyl]benzenesulfonamide
Molecular weight447.934
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.0
SynonymsBDBM50113360
Inchi KeyFQXQNROKDODNHX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN3O4S/c1-21(2,3)13-4-7-15(8-5-13)30(28,29)25-17-9-6-14(22)10-16(17)19-20(27)18(11-26)23-12-24-19/h4-10,12,25-27H,11H2,1-3H3
PubChem CID122185759
ChEMBLCHEMBL3604495
IUPHARN/A
BindingDB50113360
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
473422C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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