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Ligand

NameCHEMBL102291
Molecular formulaC14H24N2O4S
IUPAC nameN-[2-hydroxy-5-[1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]phenyl]methanesulfonamide
Molecular weight316.416
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.8
SynonymsBDBM50106805
N-{5-[2-(1,1-Dimethyl-propylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide
2-(Methylsulfonylamino)-4-[1-hydroxy-2-(tert-pentylamino)ethyl]phenol
Inchi KeyALPVVQDNPOPUTQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H24N2O4S/c1-5-14(2,3)15-9-13(18)10-6-7-12(17)11(8-10)16-21(4,19)20/h6-8,13,15-18H,5,9H2,1-4H3
PubChem CID44333761
ChEMBLCHEMBL102291
IUPHARN/A
BindingDB50106805
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
8492Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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