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Ligand

NameCHEMBL443435
Molecular formulaC29H41N3O10S
IUPAC name(E)-but-2-enedioic acid;N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[6-[4-(3-sulfamoylphenyl)butoxy]hexylamino]ethyl]phenyl]formamide
Molecular weight623.718
Hydrogen bond acceptor12
Hydrogen bond donor7
XlogPNone
SynonymsAIQSQNBXZYYDNO-RHWBLDFMSA-N
3-(4-{[6-({(2R)-2-[3-(Formylamino)-4-hydroxyphenyl]-2-hydroxyethyl}amino)hexyl]oxy}butyl)benzenesulfonamide compound with (2E)-but-2-enedioic acid
Inchi KeyAIQSQNBXZYYDNO-RHWBLDFMSA-N
Inchi IDInChI=1S/C25H37N3O6S.C4H4O4/c26-35(32,33)22-10-7-9-20(16-22)8-3-6-15-34-14-5-2-1-4-13-27-18-25(31)21-11-12-24(30)23(17-21)28-19-29;5-3(6)1-2-4(7)8/h7,9-12,16-17,19,25,27,30-31H,1-6,8,13-15,18H2,(H,28,29)(H2,26,32,33);1-2H,(H,5,6)(H,7,8)/b;2-1+/t25-;/m0./s1
PubChem CID44572221
ChEMBLCHEMBL443435
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6464Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
6463Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
6465Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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