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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

NameCHEMBL1684686
Molecular formulaC22H37N3O3
IUPAC name1-[(1S,4S)-5-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentanecarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-one
Molecular weight391.556
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.7
SynonymsN/A
Inchi KeyAFMHXICRIXRSPP-GHDARCQNSA-N
Inchi IDInChI=1S/C22H37N3O3/c1-4-20(26)24-13-19-11-18(24)14-25(19)21(27)22(15(2)3)8-5-17(12-22)23-16-6-9-28-10-7-16/h15-19,23H,4-14H2,1-3H3/t17-,18+,19+,22+/m1/s1
PubChem CID53323651
ChEMBLCHEMBL1684686
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4278C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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