Ligand
Ligand Name:   wortmannin
Ligand Type:   non-polymer
Ligand ID:   COVPDB1041 PubChem:   312145
Synonym(s):  
  •   19545-26-7
  • wartmannin
  • antibiotic sl-2052
  • ky 12420
  • sl-2052
  • unii-xva4o219qw
  • mfcd00133927
  • nsc221019
  • xva4o219qw
  • mls002703028
  • chembl428496
  • chebi:52289
  • wortmannin, 98%
  • (1s,6br,9as,11r,11br)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
  • pi 3-kinase inhibitor
  • (1alpha,11alpha)-11-(acetyloxy)-1-(methoxymethyl)-2-oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione
  • (1r,3r,5s,9r,18s)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadeca-2(10),12(19),14-trien-3-yl acetate
  • (1s,6br,9as,11r,11br)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1h-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
  • (1s,6br,9as,11r,11br)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-3,6,6b,7,8,9,9a,10,11,11b-decahydro-1h-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate.
  • (1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
  • 3h-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione,11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1s,6br,9as,11r,11br)-
  • wortmanin
  • c23h24o8
  • nsc627609
  • wortmannin, wm
  • nchembio866-comp1
  • nsc 627609
  • brn 0067676
  • ky-12420
  • schembl4531
  • bspbio_001232
  • 4-19-00-03134 (beilstein handbook reference)
  • cid_312145
  • gtpl6060
  • megxm0_000446
  • dtxsid8040642
  • wortmannin, ready made solution
  • wortmannin,penicillium wortmannin
  • acon0_000951
  • bdbm15234
  • hms1792n13
  • hms1990n13
  • hms3403n13
  • wortmannin, penicillium funiculosum
  • ex-a1930
  • zinc1619592
  • 2100ah
  • 2803ah
  • s2758
  • st-415
  • wortmannin - cas 19545-26-7
  • ccg-208290
  • cs-5073
  • db08059
  • ky12420
  • nsc-221019
  • nsc-627609
  • wortmannin, from penicillium funiculosum
  • wortmannin; sl-2052; ky-12420
  • ncgc00163485-01
  • ncgc00163485-02
  • bs-16306
  • hy-10197
  • nci60_001835
  • smr001566836
  • c15181
  • 44665-ep2277881a1
  • 44665-ep2277898a2
  • 44665-ep2292227a2
  • 44665-ep2301533a1
  • 44665-ep2311818a1
  • cu-00000000011-1
  • j-012661
  • brd-k87343924-001-02-4
  • 3,2-de]indeno[4,5-h][2]benzopyran-11-yl acetate
  • wortmannin solution, 100 mug/ml in acetonitrile, analytical standard
  • wortmannin, from penicillium funiculosum, >=98% (hplc and tlc)
  • 3h-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,
  • (1r,6br,9as,11r,11br)-1-(methoxymethyl)-9a,11b-dimethyl-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b- decahydro-3h-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate
  • (1s,6br,9as,11r,11br)-9a,11b-dimethyl-1-[(methyloxy)methyl]-3,6,9-trioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3h-furo[4,
  • 2-oxaandrosta-5,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-
  • 3h-furo[4,2-de]indeno[4,5,-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1s,6br,9as,11r,11br)
  • 3h-furo[4,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1s,6br,9as,11r,11br)
  • 3h-furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 11-(acetyloxy)-1,6b,7,8,9a,10,11,11b-
  • 6b,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, (1s,6br,9as,11r,11br)-
  • octahydro-1-(methoxymethyl)-9a,11b-dimethyl-, [1s-(1alpha,6baalpha,9abeta,11alpha,11bbeta)]-
show 85 synonym(s)
DrugBank:   DB08059 ChEMBL:   CHEMBL428496
Canonical SMILES:   COC[C@H]1OC(=O)c(c2[C@]13C)coc2C(=O)C4=C3[C@H](OC(=O)C)C[C@@]5(C)[C@H]4CCC5=O
Standard InChI:   InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
Molecular Formula:   C23H24O8 Mol. Weight:   428.14713 logP:   2.5364
HBD:   0 HBA:   8
#Rotatable Bonds:   3 TPSA:   109.11

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform O02697 (PK3CG_PIG) Sus scrofa (Pig) 1E7U KWT IC50 : 55000 nM, IC50 : 19 nM, IC50 : 89 nM, IC50 : 5 nM, IC50 : 55 nM, Kd : 15 nM BindingDB SHOW