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I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ 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

NameCHEMBL2338187
Molecular formulaC18H21NO
IUPAC name2,3-dihydroindol-1-yl(3-tricyclo[3.3.1.03,7]nonanyl)methanone
Molecular weight267.372
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50429825
Inchi KeyIHHKHUAUHBZSOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21NO/c20-17(19-6-5-14-3-1-2-4-16(14)19)18-10-12-7-13(11-18)9-15(18)8-12/h1-4,12-13,15H,5-11H2
PubChem CID71720136
ChEMBLCHEMBL2338187
IUPHARN/A
BindingDB50429825
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
133214Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
133216Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
133213Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347
133215Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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