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Ligand

NameCHEMBL3354830
Molecular formulaC18H19ClN4O4S
IUPAC name2-(4-chloro-2-hydroxy-3-propan-2-ylsulfonylanilino)-4-(1-methylpyrrol-2-yl)-1H-pyrimidin-6-one
Molecular weight422.884
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50036788
Inchi KeyBXTAEAOBDRNKGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4O4S/c1-10(2)28(26,27)17-11(19)6-7-12(16(17)25)20-18-21-13(9-15(24)22-18)14-5-4-8-23(14)3/h4-10,25H,1-3H3,(H2,20,21,22,24)
PubChem CID136087075
ChEMBLCHEMBL3354830
IUPHARN/A
BindingDB50036788
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
443088C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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