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Ligand

NameCHEMBL8093
Molecular formulaC22H30N2O5S
IUPAC namepropyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate
Molecular weight434.551
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.4
SynonymsN/A
Inchi KeyJQKOBLCEKYXRTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N2O5S/c1-5-10-28-21(27)17-12-15(24-20(26)19-7-6-11-30-19)8-9-18(17)29-14-16(25)13-23-22(2,3)4/h6-9,11-12,16,23,25H,5,10,13-14H2,1-4H3,(H,24,26)
PubChem CID13550345
ChEMBLCHEMBL8093
IUPHARN/A
BindingDBN/A
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
157366Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
157365Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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