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Ligand

NameCHEMBL379736
Molecular formulaC19H30N4O5S
IUPAC name1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-hexylurea
Molecular weight426.532
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50188620
N-n-hexyl-N''-[2-(cyclohexylamino)-5-nitrobenzenesulfonyl]urea
Inchi KeyACMVNXRJVDQYIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H30N4O5S/c1-2-3-4-8-13-20-19(24)22-29(27,28)18-14-16(23(25)26)11-12-17(18)21-15-9-6-5-7-10-15/h11-12,14-15,21H,2-10,13H2,1H3,(H2,20,22,24)
PubChem CID11604299
ChEMBLCHEMBL379736
IUPHARN/A
BindingDB50188620
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1706Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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