PDB code 3FNU
Identical Ligands in BindingDB
Found 1 hit Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Plasmepsin III
(332/332 = 100%)† (Plasmodium falciparum) | BDBM50209559
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1 | PDB MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum histo-aspartyl protease |
Bioorg Med Chem 17: 5933-49 (2009)
Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
- Reorder this table by ec50
- Reorder this table by ic50
- Reorder this table by Kd
- Reorder this table by pH
- Reorder this table by T
- Reorder this table by ΔH°
- Reorder this table by -TΔS°
- Change energy units to: kcal/mole
Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output