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Ligand

NameCHEMBL102611
Molecular formulaC24H29N3O6S
IUPAC nameN-[5-[(1R)-2-[[(1R)-1-(2,6-dimethoxypyridin-3-yl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Molecular weight487.571
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50106825
2-(Methylsulfonylamino)-4-[(R)-1-hydroxy-2-[[(R)-alpha-(2,6-dimethoxy-3-pyridinyl)phenethyl]amino]ethyl]phenol
N-(5-{(R)-2-[(R)-1-(2,6-Dimethoxy-pyridin-3-yl)-2-phenyl-ethylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulfonamide
Inchi KeyAACCKHROFFBPIY-KNQAVFIVSA-N
Inchi IDInChI=1S/C24H29N3O6S/c1-32-23-12-10-18(24(26-23)33-2)19(13-16-7-5-4-6-8-16)25-15-22(29)17-9-11-21(28)20(14-17)27-34(3,30)31/h4-12,14,19,22,25,27-29H,13,15H2,1-3H3/t19-,22+/m1/s1
PubChem CID44333757
ChEMBLCHEMBL102611
IUPHARN/A
BindingDB50106825
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
49Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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