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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

NameSMR000221562
Molecular formulaC18H23N3S
IUPAC nameN,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propan-1-amine
Molecular weight313.463
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsAC1M0G9N
dimethyl-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]propyl]amine
CHEBI:115488
MLS000332122
cid_1998473
[ Show all ]
Inchi KeyAZYBPQSWPOOMFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N3S/c1-21(2)12-7-13-22-18-15-10-6-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
PubChem CID1998473
ChEMBLCHEMBL1386511
IUPHARN/A
BindingDB42533
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18583Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
18585Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
18584Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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