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Ligand

NameCHEMBL417137
Molecular formulaC20H24Cl2N2O4
IUPAC name2-[2,6-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-N-methylanilino]acetic acid
Molecular weight427.322
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.4
SynonymsBDBM50409474
SCHEMBL8072865
[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-2,6-dichlorophenyl](methyl)amino]acetic acid
Inchi KeyOJEJPISOZCCDJR-YUNKPMOVSA-N
Inchi IDInChI=1S/C20H24Cl2N2O4/c1-12(20(28)14-3-5-15(25)6-4-14)23-8-7-13-9-16(21)19(17(22)10-13)24(2)11-18(26)27/h3-6,9-10,12,20,23,25,28H,7-8,11H2,1-2H3,(H,26,27)/t12-,20-/m0/s1
PubChem CID10741134
ChEMBLCHEMBL417137
IUPHARN/A
BindingDB50409474
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
242682Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
242683Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
242681Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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