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- [3-METHYL-3-(3-METHOXY-5-PHENYLPHENYL)PROP-1-YNYL]-6- M ETHYLPYRIMIDINE(UCP111D) AND NADPH CANDIDA GLABRATA ENZYME OXIDOREDUCTASE
Ref.: PROBING THE ACTIVE SITE OF CANDIDA GLABRATA DIHYDRO REDUCTASE WITH HIGH RESOLUTION CRYSTAL STRUCTURES A SYNTHESIS OF NEW INHIBITORS CHEM.BIOL.DRUG DES. V. 73 62 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
53R A:229;
B:229;
Valid;
Valid;
none;
none;
ic50 = 7.3 nM 358.436 C22 H22 N4 O Cc1c(...
NAP A:228;
B:228;
Valid;
Valid;
none;
none;
submit data 740.385 C21 H28 N7 O17 P3 [P+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EEL 1.95 Å EC: 1.5.1.3 CANDIDA GLABRATA DIHYDROFOLATE REDUCTASE COMPLEXED WITH 2,4- [3-METHYL-3-(3-METHOXY-5-(3,5-DIMETHYLPHENYL)PHENYL)PROP-1-M ETHYLPYRIMIDINE(UCP11153TM) AND NADPH CANDIDA GLABRATA ENZYME OXIDOREDUCTASE
Ref.: PROBING THE ACTIVE SITE OF CANDIDA GLABRATA DIHYDRO REDUCTASE WITH HIGH RESOLUTION CRYSTAL STRUCTURES A SYNTHESIS OF NEW INHIBITORS CHEM.BIOL.DRUG DES. V. 73 62 2009
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3EEL ic50 = 0.55 nM 53T C24 H26 N4 O Cc1cc(cc(c....
2 3QLX ic50 = 27 nM QLR C19 H24 N4 O3 CC[C@@H](C....
3 3QLZ ic50 = 15 nM QLZ C18 H22 N4 O2 CCCc1c(c(n....
4 3EEK ic50 = 0.61 nM 53S C23 H24 N4 O Cc1ccc(cc1....
5 3CSE ic50 = 8.2 nM N22 C17 H20 N4 O2 CCc1c(c(nc....
6 3EEJ ic50 = 7.3 nM 53R C22 H22 N4 O Cc1c(c(nc(....
7 3EEM ic50 = 5.5 nM 53V C24 H26 N4 O Cc1cccc(c1....