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Ligand

NameCHEMBL3401691
Molecular formulaC36H37N3O8S
IUPAC name4-[2-(benzenesulfonylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
Molecular weight671.765
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.6
SynonymsBDBM50066942
SCHEMBL3081981
Inchi KeyLONMDBXVFTVIML-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H37N3O8S/c40-33(41)18-10-23-39-25-32(36(43)38-48(44,45)29-14-5-2-6-15-29)47-34-30(16-9-17-31(34)39)37-35(42)27-19-21-28(22-20-27)46-24-8-7-13-26-11-3-1-4-12-26/h1-6,9,11-12,14-17,19-22,32H,7-8,10,13,18,23-25H2,(H,37,42)(H,38,43)(H,40,41)
PubChem CID23124664
ChEMBLCHEMBL3401691
IUPHARN/A
BindingDB50066942
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
449260Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
449261Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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