Reaction Details Report a problem with these data
Target
Heme ligase
Ligand
BDBM558645
Substrate
n/a
Meas. Tech.
TBD
IC50
>10000±n/a nM
Citation
 Bhattacharya, AK; Aratikatla, EK; Malhotra, P; Mohmmed, A Antimalarial compounds, process for preparation and their use for drug resistant malaria US Patent  US11365202 Publication Date 6/21/2022 
Target
Name:
Heme ligase
Synonyms:
4.99.1.8 | HDP | HDP_PLAF7
Type:
PROTEIN
Mol. Mass.:
24349.37
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_117325
Residue:
205
Sequence:
MKNRFYYNLIIKRLYTRSGGLRKPQKVTNDPESINRKVYWCFEHKPVKRTIINLIYSHNELKIFSNLLNHPTVGSSLIHELSLDGPYTAFFPSNEAMQLINIESFNKLYNDENKLSEFVLNHVTKEYWLYRDLYGSSYQPWLMYNEKREAPEKLRNLLNNDLIVKIEGEFKHCNHSIYLNGSKIIRPNMKCHNGVVHIVDKPIIF
  
Inhibitor
Name:
BDBM558645
Synonyms:
US11365202, Compound 5b
Type:
Small organic molecule
Emp. Form.:
C47H66N3O12P
Mol. Mass.:
896.0136
SMILES:
CCOP(=O)(OCC)\C=C\[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H](CN1C(=O)OCc1ccccc1)O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)c1ccccc1 |r|
Structure:
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