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SMILES: CCOP(=O)(OCC)\C=C\C(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

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 558640   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heme ligase


(Plasmodium falciparum (isolate 3D7))
BDBM558640
PNG
(US11365202, Compound 5)
Show SMILES CCOP(=O)(OCC)\C=C\C(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|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.54E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2F47SBP
More data for this
Ligand-Target Pair
Heme ligase


(Plasmodium falciparum (isolate 3D7))
BDBM558640
PNG
(US11365202, Compound 5)
Show SMILES CCOP(=O)(OCC)\C=C\C(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|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.67E+3n/an/an/an/an/an/a


TBA

Assay Description
TBD


Citation and Details

BindingDB Entry DOI: 10.7270/Q2F47SBP
More data for this
Ligand-Target Pair