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I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

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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

NameCHEMBL3923597
Molecular formulaC19H25N5O3S
IUPAC name(Z)-1-N'-[(E)-benzylideneamino]-1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
Molecular weight403.501
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50199145
Inchi KeyFSOZTTJYBBCOAV-RRKJHFEZSA-N
Inchi IDInChI=1S/C19H25N5O3S/c1-23(2)13-17-8-9-18(27-17)15-28-11-10-20-19(14-24(25)26)22-21-12-16-6-4-3-5-7-16/h3-9,12,14,20,22H,10-11,13,15H2,1-2H3/b19-14-,21-12+
PubChem CID134140031
ChEMBLCHEMBL3923597
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
548903Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
548902Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
548901Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
548904Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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