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Ligand

NameCHEMBL270026
Molecular formulaC27H31NO3
IUPAC name4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)benzoic acid
Molecular weight417.549
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.1
Synonyms4''-[2-((R)-2-Hydroxy-2-phenyl-ethylamino)-ethyl]-3-isobutyl-biphenyl-4-carboxylic acid
BDBM50236181
SCHEMBL5668838
4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-10-isobutyl-4-biphenylcarboxylic acid
(R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isobutylbiphenyl-4-carboxylic acid
Inchi KeyNCTDWZFQXDIUEY-SANMLTNESA-N
Inchi IDInChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/m0/s1
PubChem CID10002049
ChEMBLCHEMBL270026
IUPHARN/A
BindingDB50236181
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
220158Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
220159Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
220156Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
220157Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405

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