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Ligand

NameCHEMBL3265169
Molecular formulaC28H39FN4O4S
IUPAC nameN-[2-(diethylamino)ethyl]-3-[2-(3-fluorophenyl)ethoxy]-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]propanamide
Molecular weight546.702
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.3
SynonymsSCHEMBL3584654
BDBM50010978
Inchi KeyACBPNLRWLXSYMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H39FN4O4S/c1-3-32(4-2)16-17-33(25(35)12-19-37-18-11-21-6-5-7-23(29)20-21)15-14-30-13-10-22-8-9-24(34)26-27(22)38-28(36)31-26/h5-9,20,30,34H,3-4,10-19H2,1-2H3,(H,31,36)
PubChem CID16035175
ChEMBLCHEMBL3265169
IUPHARN/A
BindingDB50010978
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1407Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
1408Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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