Found 49 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' and Ligand = 'BDBM18512' 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 |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennsylvania State University
Curated by ChEMBL
| Assay Description Thermodynamic dissociation constant of compound for mutant T46S E. coli dihydrofolate reductase |
J Med Chem 35: 2912-5 (1992)
BindingDB Entry DOI: 10.7270/Q20Z728B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pennsylvania State University
Curated by ChEMBL
| Assay Description Inhibitor constant of compound for plasmodium falciparum dihydrofolate reductase |
J Med Chem 35: 2912-5 (1992)
BindingDB Entry DOI: 10.7270/Q20Z728B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.200 | -55.4 | 80 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921 BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium vivax (malaria parasite P. vivax)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.210 | -55.2 | 180 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Center for Genetic Engineering and Biotechnology at Thailand
| Assay Description Nineteen Pyr analogs were studied for their inhibition activity against cells expressing either WT or SP21 mutant PvDHFR-TS. The assays were conducte... |
Antimicrob Agents Chemother 50: 3631-7 (2006)
Article DOI: 10.1128/AAC.00448-06 BindingDB Entry DOI: 10.7270/Q2N8781P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards wild-type dihydrofolate reductase of Plasmodium falciparum. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of the wild-type dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Science and Technology Development Agency
Curated by ChEMBL
| Assay Description Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) by M... |
Antimicrob Agents Chemother 51: 4356-60 (2007)
Article DOI: 10.1128/aac.00577-07 BindingDB Entry DOI: 10.7270/Q2JS9T70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against Plasmodium falciparum dihydrofolate reductase |
J Med Chem 47: 4258-67 (2004)
Checked by Author Article DOI: 10.1021/jm040769c BindingDB Entry DOI: 10.7270/Q2HH6JKZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single S108T mutation |
J Med Chem 46: 2834-45 (2003)
Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity was evaluated as inhibition of recombinant wild type (WT) Plasmodium falciparum DHFR-TS. |
J Med Chem 41: 1367-70 (1998)
Article DOI: 10.1021/jm970845u BindingDB Entry DOI: 10.7270/Q2ZC83JJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against wild-type PfDHFR (Plasmodium falciparum dihydrofolate reductase) |
J Med Chem 46: 2834-45 (2003)
Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with double (A16V + S108T) mutations |
J Med Chem 46: 2834-45 (2003)
Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with single A16V mutation |
J Med Chem 46: 2834-45 (2003)
Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 9.80 | -45.7 | 3.09E+4 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Mahidol University
| Assay Description The concentration of inhibitor that inhibited 50% of the parasite growth (IC50) was determined from the sigmoidal curve obtained by plotting the perc... |
Nat Struct Biol 10: 257-65 (2003)
Article DOI: 10.1038/nsb921 BindingDB Entry DOI: 10.7270/Q2HH6HBD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 28.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of the S108N mutant of dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| 53.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Inhibition of the C59R+S108N mutant of dihydrofolate reductase (DHFR) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 67.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Binding affinity was evaluated as inhibition of mutant (C59R + S108N) Plasmodium falciparum DHFR-TS. |
J Med Chem 41: 1367-70 (1998)
Article DOI: 10.1021/jm970845u BindingDB Entry DOI: 10.7270/Q2ZC83JJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with triple (C59R + S108N + I164L) mutations |
J Med Chem 46: 2834-45 (2003)
Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 385 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity towards mutant dihydrofolate reductase (N51I+C59R+S108N+I164L DHFR) of Plasmodium falciparum |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Inhibition constant against PfDHFR (Plasmodium falciparum dihydrofolate reductase) with quadruple (N51I + C59R + S108N + I164L) mutations |
J Med Chem 46: 2834-45 (2003)
Article DOI: 10.1021/jm030781p BindingDB Entry DOI: 10.7270/Q2F18Z3Z |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB US Patent
| n/a | n/a | 5.25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum DHFR using DHF as substrate preincubated for 15 mins followed DHF addition measured after 15 mins by spectrophoto... |
Bioorg Med Chem 25: 6467-6478 (2017)
Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum DHFR |
Bioorg Med Chem 25: 6467-6478 (2017)
Article DOI: 10.1016/j.bmc.2017.10.017 BindingDB Entry DOI: 10.7270/Q2D50QJX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii dihydrofolate reductase |
J Med Chem 51: 4589-600 (2008)
Article DOI: 10.1021/jm800244v BindingDB Entry DOI: 10.7270/Q2ZW1MTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum DHFR |
Bioorg Med Chem Lett 16: 4366-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.047 BindingDB Entry DOI: 10.7270/Q2CC1097 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with wild type dihydrofolate reductase (TM4/8.2). |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Vyera Pharmaceuticals, LLC
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b... |
J Med Chem 62: 1562-1576 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01754 BindingDB Entry DOI: 10.7270/Q2T43XJX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii DHFR |
Bioorg Med Chem 20: 4217-25 (2012)
Article DOI: 10.1016/j.bmc.2012.05.068 BindingDB Entry DOI: 10.7270/Q25X29ZH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Turing Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP... |
ACS Med Chem Lett 7: 1124-1129 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of Dihydrofolate reductase of Toxoplasma gondii |
J Med Chem 37: 4522-8 (1995)
BindingDB Entry DOI: 10.7270/Q2DF6RVD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibitory activity against Toxoplasma gondii Dihydrofolate reductase |
J Med Chem 38: 745-52 (1995)
BindingDB Entry DOI: 10.7270/Q2JQ11PK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Inhibition of T. gondii Dihydrofolate Reductase |
J Med Chem 40: 3694-9 (1997)
Article DOI: 10.1021/jm970399a BindingDB Entry DOI: 10.7270/Q2NG4PQJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity against Toxoplasma gondii dihydrofolate reductase |
J Med Chem 39: 1271-80 (1996)
Article DOI: 10.1021/jm950760y BindingDB Entry DOI: 10.7270/Q2154G39 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Compound was tested for inhibition activity against toxoplasma gondii (T. gondii) Dihydrofolate reductase |
J Med Chem 41: 913-8 (1998)
Article DOI: 10.1021/jm970614n BindingDB Entry DOI: 10.7270/Q2BR8R9G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii. |
J Med Chem 44: 2555-64 (2001)
BindingDB Entry DOI: 10.7270/Q2SX6CHM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nottingham
Curated by ChEMBL
| Assay Description Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase |
J Med Chem 40: 1886-93 (1997)
Article DOI: 10.1021/jm970050n BindingDB Entry DOI: 10.7270/Q2RJ4HK9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Toxoplasma gondii) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested |
J Med Chem 42: 1007-17 (1999)
Article DOI: 10.1021/jm980572i BindingDB Entry DOI: 10.7270/Q2513XCR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma brucei brucei) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 407 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma cruzi) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Science and Technology Development Agency
Curated by ChEMBL
| Assay Description Inhibition of pyrimethamine-resistant form-2 Plasmodium falciparum N51I, C59R, S108N, I164L, K96N mutant expressed in Escherichia coli BL21(DE3) |
Antimicrob Agents Chemother 51: 4356-60 (2007)
Article DOI: 10.1128/aac.00577-07 BindingDB Entry DOI: 10.7270/Q2JS9T70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| n/a | n/a | 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description TBD |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2BR8X0H |
More data for this Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description Antiplasmodial activity (IC50) against Plasmodium falciparum Clone with mutant enzyme C59R+S108N- pfDihydrofolate reductase (K1CB1) |
J Med Chem 45: 1244-52 (2002)
BindingDB Entry DOI: 10.7270/Q2Z89BQ1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 4.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant C59R+S108N+I164L (Csl-2) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 7.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant N51I+C59R+S108N (W2) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Genetic Engineering and Biotechnology
Curated by ChEMBL
| Assay Description In vitro anti-plasmodial activity against Plasmodium falciparum with mutant CN51I+C59R+S108N+I164L (V1/S) dihydrofolate reductase. |
J Med Chem 47: 673-80 (2004)
Article DOI: 10.1021/jm030165t BindingDB Entry DOI: 10.7270/Q2ST7P8J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Cryptosporidium hominis) | BDBM18512
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description Inhibition of Cryptosporidium hominis DHFR |
Bioorg Med Chem Lett 16: 4366-70 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.047 BindingDB Entry DOI: 10.7270/Q2CC1097 |
More data for this Ligand-Target Pair | |