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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

NameCHEMBL3921095
Molecular formulaC15H21N5O3S
IUPAC nameN-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-6-methyl-4-nitropyridazin-3-amine
Molecular weight351.425
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50199157
Inchi KeyFUXOILYHKCWHNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N5O3S/c1-11-8-14(20(21)22)15(18-17-11)16-6-7-24-10-13-5-4-12(23-13)9-19(2)3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,18)
PubChem CID134139180
ChEMBLCHEMBL3921095
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548926Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
548924Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
548927Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
548925Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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