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Ligand

NameCHEMBL250978
Molecular formulaC27H32N2O7S
IUPAC nameN-[5-[(3R)-4-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-3-hydroxybutanoyl]-2-hydroxyphenyl]methanesulfonamide
Molecular weight528.62
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.5
SynonymsBDBM50214244
N-(5-((R)-4-((R)-1-(3,4-dimethoxyphenyl)-2-phenylethylamino)-3-hydroxybutanoyl)-2-hydroxyphenyl)methanesulfonamide
Inchi KeyAFMJYZZCXPWXQR-FGZHOGPDSA-N
Inchi IDInChI=1S/C27H32N2O7S/c1-35-26-12-10-19(15-27(26)36-2)22(13-18-7-5-4-6-8-18)28-17-21(30)16-25(32)20-9-11-24(31)23(14-20)29-37(3,33)34/h4-12,14-15,21-22,28-31H,13,16-17H2,1-3H3/t21-,22-/m1/s1
PubChem CID44444163
ChEMBLCHEMBL250978
IUPHARN/A
BindingDB50214244
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4280Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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