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Ligand

NameVermixocin B
Molecular formulaC23H26O7
IUPAC name[(1S)-1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate
Molecular weight414.454
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsPurpactin A
BDBM50281511
1'-O-acetylpenicillide
CHEMBL116226
Acetic acid (S)-1-(11-hydroxy-4-methoxy-9-methyl-5-oxo-5H,7H-6,12-dioxa-dibenzo[a,d]cycloocten-3-yl)-3-methyl-butyl ester
[ Show all ]
Inchi KeyNUYFKDBCHFKOBT-IBGZPJMESA-N
Inchi IDInChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
PubChem CID10341722
ChEMBLCHEMBL116226
IUPHARN/A
BindingDB50281511
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
232771Oxytocin receptorP70536OxtrRattus norvegicus (Rat)388
232770Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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