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Ligand

NameCHEMBL114201
Molecular formulaC27H29N5O6S
IUPAC name4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular weight551.618
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50104990
4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(pyrimidin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
Inchi KeyCVAAEKLPFPRDCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O6S/c1-27(2,3)19-9-11-22(12-10-19)39(33,34)32-24-23(38-21-8-5-7-20(17-21)35-4)25(31-18-30-24)36-15-16-37-26-28-13-6-14-29-26/h5-14,17-18H,15-16H2,1-4H3,(H,30,31,32)
PubChem CID11827768
ChEMBLCHEMBL114201
IUPHARN/A
BindingDB50104990
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51304Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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