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Ligand

NameAC1LQMEV
Molecular formulaC19H23NO4
IUPAC name(1S,9R,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Molecular weight329.396
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsAKOS015895732
ZINC5510156
Inchi KeyINYYVPJSBIVGPH-VPZZIHKRSA-N
Inchi IDInChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19+/m1/s1
PubChem CID1403661
ChEMBLN/A
IUPHARN/A
BindingDB224031
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
525494Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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