Reaction Details Report a problem with these data
Target
Delta-aminolevulinic acid dehydratase
Ligand
BDBM50017187
Substrate
n/a
Meas. Tech.
ChEMBL_1365605 (CHEMBL3297386)
EC50
52000±n/a nM
Citation
 Lentz, CS; Halls, VS; Hannam, JS; Strassel, S; Lawrence, SH; Jaffe, EK; Famulok, M; Hoerauf, A; Pfarr, KM wALADin benzimidazoles differentially modulate the function of porphobilinogen synthase orthologs. J Med Chem 57:2498-510 (2014) [PubMed]  Article 
Target
Name:
Delta-aminolevulinic acid dehydratase
Synonyms:
hemB
Type:
PROTEIN
Mol. Mass.:
37589.03
Organism:
Yersinia enterocolitica W22703
Description:
ChEMBL_108387
Residue:
340
Sequence:
MSYAFPGTFPGRRMRRVRRHDFSRRLVAENQLTVNDLIYPVFVMEGNNHQQAVSSMPGVSRMTIDLLVKEAEAIAKLGVPVISLFPVIEPGMKSLHAEEAYNPNGLVQRTVRALKDAVPELGILTDVALDPYTTHGQDGVIDADGYVINDITKEILVRQALSHADAGAEIVAPSDMMDGRIGAIRDQLELQGLVNTQIMAYSAKYASCYYGPFRDAIGSSSNLKGGNKKTYQMDPANSDEALQEIAQDLQEGADMVMVKPGMPYLDVVRRVKDTFGVPTFAYQVSGEYAMHMAAIQNGWLQEKPTVMESLLCFKRAGADGVLTYFAKQVAQWLHDDQMQR
  
Inhibitor
Name:
BDBM50017187
Synonyms:
CHEMBL3287363
Type:
Small organic molecule
Emp. Form.:
C23H18F3N3O3S
Mol. Mass.:
473.468
SMILES:
OC(=O)c1ccc2n(Cc3ccc(cc3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1
Structure:
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