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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

NameCHEMBL274599
Molecular formulaC28H34N4O2
IUPAC name2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide
Molecular weight458.606
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.7
Synonyms1N-[1-(1H-3-indolylmethyl)-2-oxo-2-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylethyl]-2-amino-2-methylpropanamide
L-162752
BDBM50069108
1-{[(2R)-1-{2,3-dihydrospiro[indene-1,4''-piperidine]-1''-yl}-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}-1-methylethan-1-aminium
SCHEMBL2578898
[ Show all ]
Inchi KeyNQEGSKXLUMFKJZ-XMMPIXPASA-N
Inchi IDInChI=1S/C28H34N4O2/c1-27(2,29)26(34)31-24(17-20-18-30-23-10-6-4-8-21(20)23)25(33)32-15-13-28(14-16-32)12-11-19-7-3-5-9-22(19)28/h3-10,18,24,30H,11-17,29H2,1-2H3,(H,31,34)/t24-/m1/s1
PubChem CID9890375
ChEMBLCHEMBL274599
IUPHARN/A
BindingDB50069108, 50403630
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229460Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
229461Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
229459Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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