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Ligand

NameCHEMBL3311396
Molecular formulaC14H11BrF2N2OS
IUPAC name5-bromo-4-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-1H-pyrimidin-6-one
Molecular weight373.216
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50048225
Inchi KeyAKIVLSXEDGOFOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11BrF2N2OS/c15-10-12(7-4-5-7)18-14(19-13(10)20)21-6-8-2-1-3-9(16)11(8)17/h1-3,7H,4-6H2,(H,18,19,20)
PubChem CID136986993
ChEMBLCHEMBL3311396
IUPHARN/A
BindingDB50048225
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
442009C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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