Reaction Details Report a problem with these data
Target
Acetolactate synthase, chloroplastic
Ligand
BDBM50216779
Substrate
n/a
Meas. Tech.
ChEBML_27494
IC50
>261000±n/a nM
Comments
modified from >100 20220121
Citation
 Liu, J; Li, Z; Yan, H; Wang, L; Chen, J The design and synthesis of ALS inhibitors from pharmacophore models. Bioorg Med Chem Lett 9:1927-32 (1999) [PubMed]  Article 
Target
Name:
Acetolactate synthase, chloroplastic
Synonyms:
AHAS | ALS | Acetolactate synthase | CSR1 | ILVB_ARATH | TZP5
Type:
PROTEIN
Mol. Mass.:
72585.19
Organism:
Arabidopsis thaliana
Description:
ChEMBL_934103
Residue:
670
Sequence:
MAAATTTTTTSSSISFSTKPSPSSSKSPLPISRFSLPFSLNPNKSSSSSRRRGIKSSSPSSISAVLNTTTNVTTTPSPTKPTKPETFISRFAPDQPRKGADILVEALERQGVETVFAYPGGASMEIHQALTRSSSIRNVLPRHEQGGVFAAEGYARSSGKPGICIATSGPGATNLVSGLADALLDSVPLVAITGQVPRRMIGTDAFQETPIVEVTRSITKHNYLVMDVEDIPRIIEEAFFLATSGRPGPVLVDVPKDIQQQLAIPNWEQAMRLPGYMSRMPKPPEDSHLEQIVRLISESKKPVLYVGGGCLNSSDELGRFVELTGIPVASTLMGLGSYPCDDELSLHMLGMHGTVYANYAVEHSDLLLAFGVRFDDRVTGKLEAFASRAKIVHIDIDSAEIGKNKTPHVSVCGDVKLALQGMNKVLENRAEELKLDFGVWRNELNVQKQKFPLSFKTFGEAIPPQYAIKVLDELTDGKAIISTGVGQHQMWAAQFYNYKKPRQWLSSGGLGAMGFGLPAAIGASVANPDAIVVDIDGDGSFIMNVQELATIRVENLPVKVLLLNNQHLGMVMQWEDRFYKANRAHTFLGDPAQEDEIFPNMLLFAAACGIPAARVTKKADLREAIQTMLDTPGPYLLDVICPHQEHVLPMIPSGGTFNDVITEGDGRIKY
  
Inhibitor
Name:
BDBM50216779
Synonyms:
CHEMBL58200
Type:
Small organic molecule
Emp. Form.:
C13H7Cl2F3N2O4
Mol. Mass.:
383.107
SMILES:
FC(F)(F)c1cc(Cl)c(C(=O)OCn2ccc(=O)[nH]c2=O)c(Cl)c1
Structure:
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