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Ligand

NameCHEMBL2158342
Molecular formulaC18H12ClN3O8S
IUPAC name[6-[(4-methylpyrimidin-2-yl)sulfonylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
Molecular weight465.817
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.0
SynonymsBDBM50393932
MLS-0437481.0001
Inchi KeyDFOSJWCBIGVTNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H12ClN3O8S/c1-10-4-5-20-18(21-10)31(27,28)9-12-7-15(23)16(8-29-12)30-17(24)11-2-3-13(19)14(6-11)22(25)26/h2-8H,9H2,1H3
PubChem CID46905034
ChEMBLCHEMBL2158342
IUPHARN/A
BindingDB50393932
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
58757Apelin receptorP35414APLNRHomo sapiens (Human)380
58758Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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