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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

NameSCHEMBL18993317
Molecular formulaC23H29N5O
IUPAC nameN-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
Molecular weight391.519
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM156646
US9682966, 414
Inchi KeyACEFGCIJTZPRJV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29N5O/c1-15-7-8-21-17(13-15)14-20(22-24-16(2)29-27-22)23(26-21)28-11-9-19(10-12-28)25-18-5-3-4-6-18/h7-8,13-14,18-19,25H,3-6,9-12H2,1-2H3
PubChem CID129252293
ChEMBLN/A
IUPHARN/A
BindingDB156646
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
535951Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380

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