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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

NameCHEMBL200248
Molecular formulaC20H27NO4S
IUPAC name(2S)-1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-(2-methylsulfonylphenoxy)propan-2-ol
Molecular weight377.499
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
Synonyms(S)-1-(2-methyl-1-phenylpropan-2-ylamino)-3-(2-(methylsulfonyl)phenoxy)propan-2-ol
BDBM50175389
Inchi KeyBDLZLBCJXJHQCP-KRWDZBQOSA-N
Inchi IDInChI=1S/C20H27NO4S/c1-20(2,13-16-9-5-4-6-10-16)21-14-17(22)15-25-18-11-7-8-12-19(18)26(3,23)24/h4-12,17,21-22H,13-15H2,1-3H3/t17-/m0/s1
PubChem CID44405904
ChEMBLCHEMBL200248
IUPHARN/A
BindingDB50175389
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
21055Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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