Receptor
PDB id Resolution Class Description Source Keywords
1m79 1.7 Å EC: 1.5.1.3 CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE ( NADPH) AND 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE (G W1466) CANDIDA ALBICANS OXIDOREDUCTASE ANTIFUNGAL TARGET REDUCTASE
Ref.: X-RAY CRYSTALLOGRAPHIC STUDIES OF CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE. HIGH RESOLUTION STRUCTURES OF THE HOLOENZYME AND AN INHIBITED TERNARY COMPLEX J.BIOL.CHEM. V. 272 30289 1997
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
MQ1 Valid ic50 = 320 nM none 282.297
C15 H14 N4 O2
COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N
NDP Valid submit data none 745.421
C21 H30 N7 O17 P3
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
MES Invalid - none 195.237
C6 H13 N O4 S
C1COCC[NH+]1CCS(=O)(=O)[O-]
90% Homology Family

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

Leader:    1AOE     CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE ( NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2- F] QUINAZOLINE (GW345)
No: PDB id Binding Data Representative ligand
1 1M79 ic50 = 320 nM MQ1
2 1IA1 ic50 = 0.034 uM TQ3
3 3QLS ic50 = 33 nM 55V
4 1AI9 - NDP
5 1IA4 ic50 = 0.13 uM TQ6
6 3QLR ic50 = 45 nM QLR
7 1AOE Ki = 0.22 nM GW3
8 1IA3 ic50 = 8 nM TQ5
9 1M7A ic50 = 9 nM MQU
10 1M78 ic50 = 52 nM CLZ
11 3QLW ic50 = 100 nM N22
12 1IA2 ic50 = 0.023 uM TQ4
More Information
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