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Ligand

NameCHEMBL64209
Molecular formulaC20H21N3O3S2
IUPAC name(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
Molecular weight415.526
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50038817
[1-(Propane-2-sulfonyl)-1H-indol-3-yl]-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
Inchi KeyAXBLTMLEOPOZQK-DIMJTDRSSA-N
Inchi IDInChI=1S/C20H21N3O3S2/c1-13(2)28(25,26)23-11-16(15-7-3-4-8-18(15)23)19(24)17-12-27-20(22-17)14-6-5-9-21-10-14/h3-11,13,17,20,22H,12H2,1-2H3/t17-,20?/m0/s1
PubChem CID10364545
ChEMBLCHEMBL64209
IUPHARN/A
BindingDB50038817
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
16526Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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