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Ligand

NameCHEMBL498519
Molecular formulaC25H24ClNO4
IUPAC name4-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]benzoic acid
Molecular weight437.92
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50272766
4-[((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoic Acid
Inchi KeyAGTKWPGCGIAEEZ-URXFXBBRSA-N
Inchi IDInChI=1S/C25H24ClNO4/c26-20-3-1-2-18(12-20)24(28)15-27-21-8-4-16-5-11-23(14-19(16)13-21)31-22-9-6-17(7-10-22)25(29)30/h1-3,5-7,9-12,14,21,24,27-28H,4,8,13,15H2,(H,29,30)/t21-,24-/m0/s1
PubChem CID24949887
ChEMBLCHEMBL498519
IUPHARN/A
BindingDB50272766
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5189Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
5188Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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