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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

NameCHEMBL124208
Molecular formulaC24H26FN3O2
IUPAC name3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular weight407.489
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
Synonyms8-[2-(5-Fluoro-1H-indol-3-yl)ethyl]-3-benzyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SCHEMBL13864782
Inchi KeyKSQAOYHTDJHQEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2
PubChem CID9887650
ChEMBLCHEMBL124208
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
177259Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
177258Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
177260Substance-K receptorP21452TACR2Homo sapiens (Human)398
177261Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
177262Substance-P receptorP25103TACR1Homo sapiens (Human)407
177263Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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