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Ligand

Namepaxilline
Molecular formulaC27H33NO4
IUPAC name(1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Molecular weight435.564
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.5
Synonyms57186-25-1
NSC 658707
UNII-3T9U9Z96L7
BRN 5317894
MLS000028812
[ Show all ]
Inchi KeyACNHBCIZLNNLRS-UBGQALKQSA-N
Inchi IDInChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1
PubChem CID105008
ChEMBLCHEMBL410063
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
1718Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1719Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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