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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

NameCHEMBL3622087
Molecular formulaC22H28N4O
IUPAC name(1-ethylpyrazol-4-yl)-[3-(1-propan-2-ylindol-2-yl)piperidin-1-yl]methanone
Molecular weight364.493
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.0
SynonymsSCHEMBL16770456
BDBM50121325
Inchi KeyBFJXCJBBYLHASN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N4O/c1-4-25-15-19(13-23-25)22(27)24-11-7-9-18(14-24)21-12-17-8-5-6-10-20(17)26(21)16(2)3/h5-6,8,10,12-13,15-16,18H,4,7,9,11,14H2,1-3H3
PubChem CID118120155
ChEMBLCHEMBL3622087
IUPHARN/A
BindingDB50121325
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
465658Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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