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Ligand

NameMLS000076295
Molecular formulaC21H23ClN4O3S
IUPAC name4-[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
Molecular weight446.95
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsSMR000007431
4-[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
(4-{5-[1-(3-Chloro-benzenesulfonyl)-piperidin-4-yl]-[1,2,4]oxadiazol-3-yl}-phenyl)-dimethyl-amine
AC1LCKDB
MLS002537099
[ Show all ]
Inchi KeyAHJLESCWKWSVKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23ClN4O3S/c1-25(2)18-8-6-15(7-9-18)20-23-21(29-24-20)16-10-12-26(13-11-16)30(27,28)19-5-3-4-17(22)14-19/h3-9,14,16H,10-13H2,1-2H3
PubChem CID651592
ChEMBLCHEMBL1531826
IUPHARN/A
BindingDB84194
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
5618Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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