Receptor
PDB id Resolution Class Description Source Keywords
3qlz 1.94 Å EC: 1.5.1.3 CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADP [3-(2,5-DIMETHOXYPHENYL)PROP-1-YN-1-YL]-6-PROPYLPYRIMIDINE-D IAMINE (UCP130B) CANDIDA GLABRATA ANTIFUNGAL AGENTS CANDIDA GLABRATA DRUG DESIGN ENZYME INHFUNGAL PROTEINS MODELS MOLECULAR STRUCTURE STRUCTURE-ACTRELATIONSHIP TETRAHYDROFOLATE DEHYDROGENASE OXIDOREDUCTASOXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF CANDIDA ALBICANS DIHYDROFOLAT REDUCTASE BOUND TO PROPARGYL-LINKED ANTIFOLATES REV FLEXIBILITY OF ACTIVE SITE LOOP RESIDUES CRITICAL F POTENCY AND SELECTIVITY. CHEM.BIOL.DRUG DES. V. 78 505 2011
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
QLZ Valid ic50 = 15 nM none 326.393
C18 H22 N4 O2
CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC
NAP Valid submit data none 743.405
C21 H28 N7 O17 P3
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
MG Invalid - none 24.305
Mg
[Mg+2]
90% Homology Family

The Class containing this family consists of a total of 22 families.

Leader:    3EEL     CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH 2,4- DIAMINO-5-[3-METHYL-3-(3-METHOXY-5-(3,5-DIMETHYLPHENYL) P HENYL)PROP-1-YNYL]-6-METHYLPYRIMIDINE(UCP11153TM) AND NA DPH
No: PDB id Binding Data Representative ligand
1 3EEL ic50 = 0.55 nM 53T
2 3QLX ic50 = 27 nM QLR
3 3QLZ ic50 = 15 nM QLZ
4 3EEK ic50 = 0.61 nM 53S
5 3CSE ic50 = 8.2 nM N22
6 3EEJ ic50 = 7.3 nM 53R
7 3EEM ic50 = 5.5 nM 53V
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