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Ligand

NameCHEMBL39269
Molecular formulaC30H28N4O4S
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(2-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
Molecular weight540.638
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.8
SynonymsBDBM50090167
N-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-(2-phenyl-5-oxazolyl)benzenesulfonamide
N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(2-phenyl-oxazol-5-yl)-benzenesulfonamide
Inchi KeyAOUHAYHMZPANLU-NDEPHWFRSA-N
Inchi IDInChI=1S/C30H28N4O4S/c35-28(25-7-4-17-31-19-25)20-32-18-16-22-8-12-26(13-9-22)34-39(36,37)27-14-10-23(11-15-27)29-21-33-30(38-29)24-5-2-1-3-6-24/h1-15,17,19,21,28,32,34-35H,16,18,20H2/t28-/m0/s1
PubChem CID12017001
ChEMBLCHEMBL39269
IUPHARN/A
BindingDB50090167
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10591Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
10592Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
10593Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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