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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL2349326
Molecular formulaC19H22N6OS2
IUPAC name2-[[2-amino-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzonitrile
Molecular weight414.546
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP4.1
SynonymsSCHEMBL5230426
BDBM50432435
Inchi KeyXWAUEZBZFHUMHB-CQSZACIVSA-N
Inchi IDInChI=1S/C19H22N6OS2/c1-11(2)7-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-6-4-3-5-12(13)8-20/h3-6,11,14,26H,7,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1
PubChem CID71625274
ChEMBLCHEMBL2349326
IUPHARN/A
BindingDB50432435
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
402345C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
402344CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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