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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL490009
Molecular formulaC22H26ClN3O3
IUPAC nameN-(3-acetamidophenyl)-2-(2-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
Molecular weight415.918
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50264433
N-(3-acetamidophenyl)-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
Inchi KeyAKSBTBLEMBOTBP-KPMSDPLLSA-N
Inchi IDInChI=1S/C22H26ClN3O3/c1-15(29-21-11-4-3-10-20(21)23)22(28)26(14-18-8-6-12-24-18)19-9-5-7-17(13-19)25-16(2)27/h3-5,7,9-11,13,15,18,24H,6,8,12,14H2,1-2H3,(H,25,27)/t15?,18-/m1/s1
PubChem CID44579857
ChEMBLCHEMBL490009
IUPHARN/A
BindingDB50264433
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
7848Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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