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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameMLS001225295
Molecular formulaC24H27N5O5S
IUPAC name4-amino-5-N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
Molecular weight497.57
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.3
SynonymsSMR000599924
4-amino-5-N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-5-N-(2-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(cyclohexylcarbamoyl-furan-2-yl-methyl)-(2-methoxy-phenyl)-amide]
AC1MKKPJ
ASN 03900257
[ Show all ]
Inchi KeyAJIYPQQWLOFUGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N5O5S/c1-33-16-11-6-5-10-15(16)29(24(32)21-18(25)19(22(26)30)28-35-21)20(17-12-7-13-34-17)23(31)27-14-8-3-2-4-9-14/h5-7,10-14,20H,2-4,8-9,25H2,1H3,(H2,26,30)(H,27,31)
PubChem CID3180687
ChEMBLCHEMBL1388042
IUPHARN/A
BindingDB62160
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
6956Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
6957Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328
463742Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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