Receptor
PDB id Resolution Class Description Source Keywords
5cs2 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM DIADENOSINE TRIPH HYDROLASE IN COMPLEX WITH CYCLOMARIN A PLASMODIUM FALCIPARUM (ISOLATE 3D7) CYCLOMARIN A DIADENOSINE TRIPHOSPHATE HYDROLASE ANTI-PLASMACTIVITY MALARIA PLASMODIUM FALCIPARUM HYDROLASE
Ref.: GIFT FROM NATURE: CYCLOMARIN A KILLS MYCOBACTERIA A MALARIA PARASITES BY DISTINCT MODES OF ACTION. CHEMBIOCHEM V. 16 2433 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
54C WLU ALA WPA VAL MLE WVL B:1;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 ic50 = 0.004 uM
n/a n/a
CL A:1000;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CS2 1.65 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM DIADENOSINE TRIPH HYDROLASE IN COMPLEX WITH CYCLOMARIN A PLASMODIUM FALCIPARUM (ISOLATE 3D7) CYCLOMARIN A DIADENOSINE TRIPHOSPHATE HYDROLASE ANTI-PLASMACTIVITY MALARIA PLASMODIUM FALCIPARUM HYDROLASE
Ref.: GIFT FROM NATURE: CYCLOMARIN A KILLS MYCOBACTERIA A MALARIA PARASITES BY DISTINCT MODES OF ACTION. CHEMBIOCHEM V. 16 2433 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5CS2 ic50 = 0.004 uM 54C WLU ALA WPA VAL MLE WVL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5CS2 ic50 = 0.004 uM 54C WLU ALA WPA VAL MLE WVL n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5CS2 ic50 = 0.004 uM 54C WLU ALA WPA VAL MLE WVL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 54C WLU ALA WPA VAL MLE WVL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: 54C WLU ALA WPA VAL MLE WVL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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