null
SMILES: Nc1ncc(c(N)n1)-c1ccc(Cl)cc1
InChI Key: InChIKey=OBYDYFKZLKCNOC-UHFFFAOYSA-N
PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.40 | 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 | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.40 | 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 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 | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.42 | -11.5 | 1.52E+3 | 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 | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 369 | 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 | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 556 | 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 | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase [1-238,S58R,S117N] (Plasmodium vivax (malaria parasite P. vivax)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.08E+3 | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Plasmodium falciparum (isolate K1 / Thailand)) | BDBM18774 (5-(4-chlorophenyl)pyrimidine-2,4-diamine | CHEMBL2...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.62E+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 |