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Ligand

NameCHEMBL383511
Molecular formulaC24H25ClN2O3
IUPAC name4-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]benzoic acid
Molecular weight424.925
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50002601
SCHEMBL6433167
Inchi KeyBGFUXHUMITWARX-MWTRTKDXSA-N
Inchi IDInChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)20-5-2-6-21(25)12-20)14-27-22-7-3-4-19(13-22)17-8-10-18(11-9-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
PubChem CID11546349
ChEMBLCHEMBL383511
IUPHARN/A
BindingDB50002601
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
22947Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
22949Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
22948Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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