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Ligand

NameCHEMBL271703
Molecular formulaC16H16F2N6OS
IUPAC name(2R)-2-[[7-amino-2-[(2,3-difluorophenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol
Molecular weight378.402
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP2.1
SynonymsBDBM50371793
(2r)-2-[[7-amino-2-[[(2,3-difluorophenyl)methyl]thio]-4-pteridinyl]amino]-1-propanol
BJILNBJSTFTMIK-MRVPVSSYSA-N
SCHEMBL5498108
Inchi KeyBJILNBJSTFTMIK-MRVPVSSYSA-N
Inchi IDInChI=1S/C16H16F2N6OS/c1-8(6-25)21-14-13-15(22-11(19)5-20-13)24-16(23-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,25H,6-7H2,1H3,(H3,19,21,22,23,24)/t8-/m1/s1
PubChem CID9842742
ChEMBLCHEMBL271703
IUPHARN/A
BindingDB50371793
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
25145C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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