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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

NameAC1L1H4K
Molecular formulaC23H32N2O3
IUPAC name3-hydroxybutan-2-yl 7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Molecular weight384.52
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM84930
L000859
CAS_60634-51-7
NSC_107989
CHEMBL53236
Inchi KeyJQYLIGHHVGCTPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
PubChem CID3972
ChEMBLN/A
IUPHARN/A
BindingDB84930
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1577655-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
1577695-hydroxytryptamine receptor 2AP50128HTR2AMacaca mulatta (Rhesus macaque)471
5560725-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1577665-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1577675-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
1577685-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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