BDBM18238 2,4-diamino-5-deazapteridine, 7::Piritrexim analogue,30::ethyl 4-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl}methyl)-4-methoxyphenoxy]butanoate
SMILES: CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
InChI Key: InChIKey=OJXNTDHQQMJPKJ-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii) | BDBM18238![]() (2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | 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 (DHFR) (Toxoplasma gondii) | BDBM18238![]() (2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...) | PDB UniProtKB/SwissProt GoogleScholar | 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 (DHFR) (Bacillus cereus (ATCC 14579)) | BDBM18238![]() (2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar | 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 | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM18238![]() (2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar | 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 (Mycobacterium avium) | BDBM18238![]() (2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | 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 |