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Ligand

NameMLS000531823
Molecular formulaC21H22N2O4S2
IUPAC nameN-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide
Molecular weight430.537
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.0
Synonymscid_1025603
N-benzyl-4-(benzylsulfonylamino)-N-methylbenzenesulfonamide
ST50630254
AC1LJK3M
methylbenzyl[(4-{[benzylsulfonyl]amino}phenyl)sulfonyl]amine
[ Show all ]
Inchi KeyAJHIOSCDEIVDRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O4S2/c1-23(16-18-8-4-2-5-9-18)29(26,27)21-14-12-20(13-15-21)22-28(24,25)17-19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3
PubChem CID1025603
ChEMBLCHEMBL1375364
IUPHARN/A
BindingDB77324
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
6917Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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