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Ligand

NameCHEMBL34406
Molecular formulaC31H31N5O6S
IUPAC nameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
Molecular weight601.678
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP3.4
SynonymsBDBM50089495
N-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-[5-(4-methoxyphenoxymethyl)-1,2,4-oxadiazole-3-yl]benzenesulfonamide
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[5-(4-methoxy-phenoxymethyl)-[1,2,4]oxadiazol-3-yl]-benzenesulfonamide
Inchi KeyALVGVJBOROIAIW-LJAQVGFWSA-N
Inchi IDInChI=1S/C31H31N5O6S/c1-40-26-10-12-27(13-11-26)41-21-30-34-31(35-42-30)23-6-14-28(15-7-23)43(38,39)36-25-8-4-22(5-9-25)16-18-33-20-29(37)24-3-2-17-32-19-24/h2-15,17,19,29,33,36-37H,16,18,20-21H2,1H3/t29-/m0/s1
PubChem CID44281384
ChEMBLCHEMBL34406
IUPHARN/A
BindingDB50089495
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8599Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
8601Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
8600Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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