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Ligand

NameBDBM50097799
Molecular formulaC29H32N4O6S2
IUPAC nameN-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[1-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]piperidin-4-yl]amino]ethyl]phenyl]benzenesulfonamide
Molecular weight596.717
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP3.3
SynonymsN-[5-(2-{1-[4-((R)-2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-benzenesulfonamide
Inchi KeyADDYIVVOISESEV-SANMLTNESA-N
Inchi IDInChI=1S/C29H32N4O6S2/c34-25-11-8-20(17-24(25)32-41(38,39)23-4-2-1-3-5-23)26(35)18-30-21-12-14-33(15-13-21)22-9-6-19(7-10-22)16-27-28(36)31-29(37)40-27/h1-11,17,21,26,30,32,34-36H,12-16,18H2,(H,31,37)/t26-/m0/s1
PubChem CID91931605
ChEMBLN/A
IUPHARN/A
BindingDB50097799
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2153Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
459248Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
2152Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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