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Ligand

NameCHEMBL183611
Molecular formulaC26H31N3O5
IUPAC name1-[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]-3-(3-methoxyphenyl)urea
Molecular weight465.55
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP2.7
SynonymsBDBM50027166
SCHEMBL6539731
Inchi KeyAMPFAWSAQNNVDP-GOTSBHOMSA-N
Inchi IDInChI=1S/C26H31N3O5/c1-33-25-9-5-6-21(15-25)29-26(32)28-20-12-10-19(11-13-20)14-22(17-30)27-16-23(31)18-34-24-7-3-2-4-8-24/h2-13,15,22-23,27,30-31H,14,16-18H2,1H3,(H2,28,29,32)/t22-,23-/m0/s1
PubChem CID10298567
ChEMBLCHEMBL183611
IUPHARN/A
BindingDB50027166
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
9122Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
9123Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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