Receptor
PDB id Resolution Class Description Source Keywords
1m78 1.71 Å EC: 1.5.1.3 CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE ( NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) 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
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
CLZ A:194;
B:196;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.125;
Atoms found LESS than expected: % Diff = 0.125;
ic50 = 52 nM 241.634 C8 H8 Cl N5 O2 c1cc2...
NDP A:193;
B:195;
Valid;
Valid;
none;
none;
submit data 740.385 C21 H30 N7 O17 P3 [P+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AOE 1.6 Å EC: 1.5.1.3 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) 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
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 4H97 ic50 = 22 nM 53S C23 H24 N4 O Cc1ccc(cc1....
2 1M79 ic50 = 320 nM MQ1 C15 H14 N4 O2 COc1ccc(cc....
3 1IA1 ic50 = 0.034 uM TQ3 C14 H12 N4 S c1ccc(cc1)....
4 3QLS ic50 = 33 nM 55V C19 H24 N4 O3 Cc1c(c(nc(....
5 1AI9 - NDP C21 H30 N7 O17 P3 [P+](O[P+]....
6 1IA4 ic50 = 0.13 uM TQ6 C18 H19 N5 O S c1cc2c(c(c....
7 3QLR ic50 = 45 nM QLR C19 H24 N4 O3 CC[C@@H](C....
8 1AOE Ki = 0.22 nM GW3 C15 H19 N5 CCC(CC)n1c....
9 1IA3 ic50 = 8 nM TQ5 C18 H20 N4 S CC(C)(C)c1....
10 1M7A ic50 = 9 nM MQU C15 H19 N5 O2 COCC(COC)n....
11 1M78 ic50 = 52 nM CLZ C8 H8 Cl N5 O2 c1cc2c(c(c....
12 3QLW ic50 = 100 nM N22 C17 H20 N4 O2 CCc1c(c(nc....
13 1IA2 ic50 = 0.023 uM TQ4 C15 H14 N4 S Cc1ccc(cc1....