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Ligand

NameCHEMBL2158271
Molecular formulaC19H15N3O8S
IUPAC name[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4,5-dimethoxy-2-nitrobenzoate
Molecular weight445.402
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP2.1
SynonymsF2510-0364
877637-84-8
MolPort-003-127-802
ZINC9829336
4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4,5-dimethoxy-2-nitrobenzoate
[ Show all ]
Inchi KeyBJZYCHKZQGDNSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15N3O8S/c1-27-15-7-12(13(22(25)26)8-16(15)28-2)18(24)30-17-9-29-11(6-14(17)23)10-31-19-20-4-3-5-21-19/h3-9H,10H2,1-2H3
PubChem CID18572395
ChEMBLCHEMBL2158271
IUPHARN/A
BindingDB50393901
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25598Apelin receptorP35414APLNRHomo sapiens (Human)380
25597Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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