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Ligand

NameCHEMBL96644
Molecular formulaC25H25N3O6S
IUPAC name2-(1,3-benzodioxol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(4-propan-2-ylphenyl)sulfonylacetamide
Molecular weight495.55
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50290960
N-[2-Benzo[1,3]dioxol-5-yl-2-(3-oxo-3,5,6,7-tetrahydro-cyclopenta[c]pyridazin-2-yl)-acetyl]-4-isopropyl-benzenesulfonamide
Inchi KeyBWKIMMGYUTXUFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N3O6S/c1-15(2)16-6-9-19(10-7-16)35(31,32)27-25(30)24(18-8-11-21-22(12-18)34-14-33-21)28-23(29)13-17-4-3-5-20(17)26-28/h6-13,15,24H,3-5,14H2,1-2H3,(H,27,30)
PubChem CID44327726
ChEMBLCHEMBL96644
IUPHARN/A
BindingDB50290960
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
34514Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
34513Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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