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Ligand

Name106674-03-7
Molecular formulaC27H20N2O8S
IUPAC name8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
Molecular weight532.523
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.9
Synonyms8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate
MLS002702317
ZINC1647564
AC1L8SHN
[ Show all ]
Inchi KeyAVADCSIAVBNFKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3
PubChem CID386817
ChEMBLCHEMBL1700880
IUPHARN/A
BindingDB81250
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
151265-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
15129Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
15127Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
15128Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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