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Ligand

NameCHEMBL33399
Molecular formulaC19H22Br2N2O4
IUPAC name2-[2,6-dibromo-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid
Molecular weight502.203
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.4
SynonymsBDBM50409473
SCHEMBL8072868
[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-2,6-dibromophenyl]amino]acetic acid
Inchi KeyMBSXHCBRJMLUOW-WLRWDXFRSA-N
Inchi IDInChI=1S/C19H22Br2N2O4/c1-11(19(27)13-2-4-14(24)5-3-13)22-7-6-12-8-15(20)18(16(21)9-12)23-10-17(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
PubChem CID11799609
ChEMBLCHEMBL33399
IUPHARN/A
BindingDB50409473
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
201624Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
201625Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
201626Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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