====== Bafilomycin-A1 0.009μM R08 exp454 ====== ==== Mechanism of Action ==== Inhibits vacuolar-type H+ ATPase, blocks acidification of lysosome * **Class / Subclass 1:** Signal Transduction / Ion Channel Inhibitor * **Class / Subclass 2:** Organelle Function / Membrane Transport Inhibitor * **Class / Subclass 3:** Proteostasis / Autophagy Inhibitor ==== Technical Notes ==== * **PubChem Name:** %%Bafilomycin A1%% * **Synonyms:** (-)-Bafilomycin A1 * **CAS #:** 88899-55-2 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/6436223|6436223]] * **IUPAC:** %%(3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one%% * **INCHI Name:** InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23+,24-,25-,26-,27+,28-,30-,31+,32+,33+,35+/m0/s1 * **INCHI Key:** XDHNQDDQEHDUTM-JQWOJBOSSA-N * **Molecular Weight:** 622.8 * **Canonical SMILES:** CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C * **Isomeric SMILES:** C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C * **Molecular Formula:** C35H58O9 {{:chemogenomics:structures:chem-0265.svg?nolink}} * **Supplier Name:** Med Chem Express * **Catalog #:** HY-100558 * **Lot #:** 29352 * **HRMS (ESI-TOF) m/z:** (M+Na)+ Calcd for C35H58O9 645.3973; found 645.39975 * **Platform ID:** Bafilomycin_A1 * **Min:** -10.6253; **Max:** 97.1608 {{:chemogenomics:dose_response:dr_502.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |0.0065 | | IC20 |0.0090 | | IC30 |0.0111 | | IC40 |0.0132 | | IC50 |0.0154 | | IC60 |0.0181 | | IC70 |0.0215 | | IC80 |0.0265 | | IC90 |0.0364 | \\ ==== Screen Summary ==== * **Round**: 08 * **Dose**: 9nM * **Days of incubation**: 8 * **Doublings**: 5.3 * **Numbers of reads**: 14931515 ==== Screen Results ==== ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ |76/21|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Bafilomycin_A1_0.009uM_Round-8_exp454.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp454.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:G:GPR107|GPR107]]|-4.98|0.00| |[[:human_genes:A:ATP6V0A2|ATP6V0A2]]|-4.63|0.00| |[[:human_genes:S:SCYL1|SCYL1]]|-4.25|0.00| |[[:human_genes:U:UNC50|UNC50]]|-4.25|0.00| |[[:human_genes:S:SLC5A3|SLC5A3]]|-3.95|0.00| |[[:human_genes:D:DAGLB|DAGLB]]|-3.74|0.00| |[[:human_genes:S:SLC39A9|SLC39A9]]|-3.60|0.00| |[[:human_genes:S:SLC25A1|SLC25A1]]|-3.47|0.00| |[[:human_genes:D:DMXL1|DMXL1]]|-3.28|0.00| |[[:human_genes:E:ENTPD4|ENTPD4]]|-3.26|0.00| |[[:human_genes:T:TSSC1|TSSC1]]|-3.17|0.00| |[[:human_genes:T:TBC1D22B|TBC1D22B]]|-3.12|0.00| |[[:human_genes:V:VKORC1L1|VKORC1L1]]|-3.11|0.00| |[[:human_genes:A:ACSL4|ACSL4]]|-3.04|<0.01| |[[:human_genes:A:ARL1|ARL1]]|-3.03|<0.01| |[[:human_genes:K:KIAA1033|KIAA1033]]|-3.02|<0.01| |[[:human_genes:Y:YIPF6|YIPF6]]|-2.92|<0.01| |[[:human_genes:Z:ZDHHC6|ZDHHC6]]|-2.92|<0.01| |[[:human_genes:S:SCAP|SCAP]]|-2.89|<0.01| |[[:human_genes:R:RSRC2|RSRC2]]|-2.86|0.09| |[[:human_genes:V:VPS29|VPS29]]|-2.84|<0.01| |[[:human_genes:N:NOSIP|NOSIP]]|-2.76|<0.01| |[[:human_genes:M:MMD|MMD]]|-2.69|<0.01| |[[:human_genes:C:CCDC22|CCDC22]]|-2.69|<0.01| |[[:human_genes:R:RAB1B|RAB1B]]|-2.69|<0.01| |[[:human_genes:C:COMMD10|COMMD10]]|-2.68|<0.01| |[[:human_genes:R:RALGAPB|RALGAPB]]|-2.68|<0.01| |[[:human_genes:V:VAC14|VAC14]]|-2.65|<0.01| |[[:human_genes:C:COMMD7|COMMD7]]|-2.64|<0.01| |[[:human_genes:P:PEX7|PEX7]]|-2.63|<0.01| |[[:human_genes:C:CHD7|CHD7]]|2.26|0.09| |[[:human_genes:S:SFXN1|SFXN1]]|2.27|0.06| |[[:human_genes:G:GFM2|GFM2]]|2.27|0.06| |[[:human_genes:I:ICMT|ICMT]]|2.29|0.06| |[[:human_genes:N:NDC80|NDC80]]|2.30|0.23| |[[:human_genes:S:SHMT2|SHMT2]]|2.30|0.11| |[[:human_genes:R:RAPGEF4|RAPGEF4]]|2.34|0.05| |[[:human_genes:D:DTNBP1|DTNBP1]]|2.35|0.05| |[[:human_genes:Z:ZBTB33|ZBTB33]]|2.35|0.05| |[[:human_genes:M:MON1B|MON1B]]|2.36|0.07| |[[:human_genes:N:NDUFAF6|NDUFAF6]]|2.38|0.04| |[[:human_genes:R:RMND1|RMND1]]|2.42|0.04| |[[:human_genes:S:SEC23B|SEC23B]]|2.43|0.06| |[[:human_genes:N:NDUFA2|NDUFA2]]|2.45|0.05| |[[:human_genes:S:SEC31A|SEC31A]]|2.46|0.03| |[[:human_genes:A:AK3|AK3]]|2.50|0.03| |[[:human_genes:M:MAGT1|MAGT1]]|2.50|0.03| |[[:human_genes:F:FAM122A|FAM122A]]|2.51|0.03| |[[:human_genes:S:SRM|SRM]]|2.53|0.03| |[[:human_genes:E:EIF4G3|EIF4G3]]|2.56|0.04| |[[:human_genes:A:AP3D1|AP3D1]]|2.65|0.02| |[[:human_genes:T:TMEM120B|TMEM120B]]|2.66|0.03| |[[:human_genes:L:LDLRAP1|LDLRAP1]]|2.70|0.03| |[[:human_genes:A:AP3M1|AP3M1]]|2.74|0.02| |[[:human_genes:R:RAB8A|RAB8A]]|2.76|0.02| |[[:human_genes:A:ATP2B1|ATP2B1]]|2.81|0.02| |[[:human_genes:A:ACACA|ACACA]]|2.82|0.02| |[[:human_genes:H:HERC3|HERC3]]|2.89|0.01| |[[:human_genes:C:CDK2|CDK2]]|3.08|<0.01| |[[:human_genes:R:RABL6|RABL6]]|3.78|<0.01| ^Screen^Correlation^Plot^ |[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.177|| |[[:results:exp89|Vemurafenib 6.6μM R02 exp89]]|0.117|| |[[:results:exp434|Vemurafenib 6.6μM R08 exp434]]|0.115|| |[[:results:exp470|Chloroquine 32μM R08 exp470]]|0.088|| |[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.086|| |[[:results:exp483|FTY720 3μM R08 exp483]]|0.083|| |[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.076|| |[[:results:exp79|Q15 2.7μM R02 exp79]]|0.072|| |[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.071|| |[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.063|| |[[:results:exp346|CoCl2 18μM R07 exp346]]|0.063|| |[[:results:exp416|Tubacin 1.6μM R07 exp416]]|0.055|| |[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.053|| |[[:results:exp490|Hydroxychloroquine 30μM R08 exp490]]|0.053|| |[[:results:exp282|Fluvastatin 2.2μM R06 exp282]]|0.051|| |[[:results:exp169|BH1 1μM R04 exp169]]|0.121|| |[[:results:exp461|BS-181 20μM R08 exp461]]|0.089|| |[[:results:exp321|ABT-702 5μM plus Deferoxamine 11μM R07 exp321]]|0.053|| {{:chemogenomics:comparison_plots:exp454_vs_exp68.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp89.png?nolink |}} {{:chemogenomics:comparison_plots:exp434_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp470.png?nolink |}} {{:chemogenomics:comparison_plots:exp227_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp483.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp530.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp79.png?nolink |}} {{:chemogenomics:comparison_plots:exp164_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp510.png?nolink |}} {{:chemogenomics:comparison_plots:exp346_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp416_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp344_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp490.png?nolink |}} {{:chemogenomics:comparison_plots:exp282_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp169_vs_exp454.png?nolink |}} {{:chemogenomics:comparison_plots:exp454_vs_exp461.png?nolink |}} {{:chemogenomics:comparison_plots:exp321_vs_exp454.png?nolink |}} ^GO Term^Fold Change^Genes^ |Golgi membrane|8.42|ATP6V0A2,UNC50,ENTPD4,ARL1,YIPF6,SCAP,NOSIP,RAB1B,VAC14| ^GO Term^Fold Change^Genes^ |synaptic vesicle cytoskeletal transport|110.46|AP3M1,AP3D1,DTNBP1| |synaptic vesicle transport along microtubule|110.46|AP3M1,AP3D1,DTNBP1| |anterograde synaptic vesicle transport|110.46|AP3M1,AP3D1,DTNBP1| |vesicle cargo loading|71.26|AP3M1,AP3D1,SEC31A,SEC23B| |platelet dense granule organization|69.04|AP3M1,AP3D1,DTNBP1| |membrane coat|24.82|AP3M1,AP3D1,SEC31A,SEC23B| |vesicle organization|10.13|RAB8A,AP3M1,AP3D1,SEC31A,SEC23B,DTNBP1|