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Ligand

NameCHEMBL270964
Molecular formulaC26H30N2O3
IUPAC name4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(propan-2-ylamino)benzoic acid
Molecular weight418.537
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.8
Synonyms4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-3-(isopropylamino)-4-biphenylcarboxylic acid
(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(isopropylamino)biphenyl-4-carboxylic acid
BDBM50236160
Inchi KeyBACQNIUODFQAMD-VWLOTQADSA-N
Inchi IDInChI=1S/C26H30N2O3/c1-18(2)28-24-16-22(12-13-23(24)26(30)31)20-10-8-19(9-11-20)14-15-27-17-25(29)21-6-4-3-5-7-21/h3-13,16,18,25,27-29H,14-15,17H2,1-2H3,(H,30,31)/t25-/m0/s1
PubChem CID24823464
ChEMBLCHEMBL270964
IUPHARN/A
BindingDB50236160
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18732Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
18730Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
18731Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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