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Ligand

NameCHEMBL497281
Molecular formulaC26H26ClNO4
IUPAC name2-[3-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]phenoxy]acetic acid
Molecular weight451.947
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50272841
[3-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)phenoxy]acetic Acid
Inchi KeyBAHMSWMBSNWHJY-ZCYQVOJMSA-N
Inchi IDInChI=1S/C26H26ClNO4/c27-22-5-1-4-20(12-22)25(29)15-28-23-10-9-17-7-8-19(11-21(17)13-23)18-3-2-6-24(14-18)32-16-26(30)31/h1-8,11-12,14,23,25,28-29H,9-10,13,15-16H2,(H,30,31)/t23-,25-/m0/s1
PubChem CID24949416
ChEMBLCHEMBL497281
IUPHARN/A
BindingDB50272841
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
18885Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
18884Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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