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Ligand

NameCHEMBL585751
Molecular formulaC27H38N4O8S
IUPAC name3-[[4-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]anilino]-4-oxobutyl]amino]propane-1-sulfonic acid
Molecular weight578.681
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-2.2
SynonymsBDBM50301250
3-(4-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)phenylamino)-4-oxobutylamino)propane-1-sulfonic acid
Inchi KeyALTXSPRIGGSYRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H38N4O8S/c1-27(2,29-16-22(33)20-10-11-21(32)25-26(20)39-17-24(35)31-25)15-18-6-8-19(9-7-18)30-23(34)5-3-12-28-13-4-14-40(36,37)38/h6-11,22,28-29,32-33H,3-5,12-17H2,1-2H3,(H,30,34)(H,31,35)(H,36,37,38)
PubChem CID45101522
ChEMBLCHEMBL585751
IUPHARN/A
BindingDB50301250
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8577Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
8578Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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