Receptor
PDB id Resolution Class Description Source Keywords
3eej 2.11 Å EC: 1.5.1.3 CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH 2,4- DIAMINO-5-[3-METHYL-3-(3-METHOXY-5-PHENYLPHENYL)PROP-1- Y NYL]-6-METHYLPYRIMIDINE(UCP111D) AND NADPH CANDIDA GLABRATA ENZYME OXIDOREDUCTASE
Ref.: PROBING THE ACTIVE SITE OF CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE WITH HIGH RESOLUTION CRYSTAL STRUCTURES AND THE SYNTHESIS OF NEW INHIBITORS CHEM.BIOL.DRUG DES. V. 73 62 2009
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
53R Valid ic50 = 7.3 nM none 358.436
C22 H22 N4 O
Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3
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
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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