Found 5 hits in this display 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 |
Dihydrofolate reductase
(Mycobacterium avium) | BDBM18238
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27) | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... |
J Med Chem 48: 4420-31 (2005)
Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18238
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... |
J Med Chem 48: 4420-31 (2005)
Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Rattus norvegicus (rat)) | BDBM18238
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... |
J Med Chem 48: 4420-31 (2005)
Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Pneumocystis carinii) | BDBM18238
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Harvard Medical School
| Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... |
J Med Chem 48: 4420-31 (2005)
Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Bacillus cereus (ATCC 14579)) | BDBM18238
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | 7.0 | 25 |
University of Connecticut at Storrs
| Assay Description Enzyme activity assays were performed by monitoring the rate of enzyme-dependent NADPH consumption at an absorbance of 340 nm over a period of severa... |
Antimicrob Agents Chemother 50: 3435-43 (2006)
Article DOI: 10.1128/AAC.00386-06 BindingDB Entry DOI: 10.7270/Q2FQ9TVF |
More data for this Ligand-Target Pair | |