Found 18 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl pyrophosphate synthase BTS1' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25297
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25266
(BPH-628 | bisphosphonate, 21 | {1-hydroxy-2-[3-(4-...)Show SMILES OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25279
(BPH-608 | bisphosphonate, 31 | {1-hydroxy-2-[3-(3-...)Show SMILES OC(Cc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25289
(bisphosphonate, 38 | {1-hydroxy-2-[3-(3-phenylphen...)Show SMILES OC(COc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25284
((1-hydroxy-2-{3-[3-(naphthalene-2-sulfonamido)phen...)Show SMILES OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25288
(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)Show SMILES OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25308
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Binding affinity to Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25297
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25266
(BPH-628 | bisphosphonate, 21 | {1-hydroxy-2-[3-(4-...)Show SMILES OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25279
(BPH-608 | bisphosphonate, 31 | {1-hydroxy-2-[3-(3-...)Show SMILES OC(Cc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H20O7P2/c21-20(28(22,23)24,29(25,26)27)14-15-6-4-9-17(12-15)19-11-5-10-18(13-19)16-7-2-1-3-8-16/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25289
(bisphosphonate, 38 | {1-hydroxy-2-[3-(3-phenylphen...)Show SMILES OC(COc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H20O8P2/c21-20(29(22,23)24,30(25,26)27)14-28-19-11-5-10-18(13-19)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25284
((1-hydroxy-2-{3-[3-(naphthalene-2-sulfonamido)phen...)Show SMILES OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25288
(BPH-629 | [1-hydroxy-2-(3-{8-oxatricyclo[7.4.0.0^{...)Show SMILES OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C20H18O8P2/c21-20(29(22,23)24,30(25,26)27)12-13-5-3-6-14(11-13)15-8-4-9-17-16-7-1-2-10-18(16)28-19(15)17/h1-11,21H,12H2,(H2,22,23,24)(H2,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM25308
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Academia Sinica
| Assay Description To measure the kinetic constants by radioactive assays, 0.2 μM wild-type E. coli OPPS and the wild-type or mutant S. cerevisiae GGPPS and human ... |
Biochemistry 55: 4366-74 (2016)
Article DOI: 10.1021/acs.biochem.6b00486 BindingDB Entry DOI: 10.7270/Q2BR8QZK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1
(Saccharomyces cerevisiae (Yeast)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biological Chemistry
Curated by ChEMBL
| Assay Description Inhibition of Saccharomyces cerevisiae GGPPS |
Proc Natl Acad Sci USA 104: 10022-7 (2007)
Article DOI: 10.1073/pnas.0702254104 BindingDB Entry DOI: 10.7270/Q2MW2J2F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Geranylgeranyl pyrophosphate synthase BTS1 [Y107A,F108A]
(Saccharomyces cerevisiae (Yeast)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Academia Sinica
| Assay Description The assays were performed by mixing either 0.2 μM E. coli OPPS, Y107A/F108A S. cerevisiae GGPPS, or Y96A/F97A human GGPPS with various concentra... |
Biochemistry 55: 4366-74 (2016)
Article DOI: 10.1021/acs.biochem.6b00486 BindingDB Entry DOI: 10.7270/Q2BR8QZK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |