Reaction Details Report a problem with these data
Target
Delta-aminolevulinic acid dehydratase
Ligand
BDBM50441099
Substrate
n/a
Meas. Tech.
ChEMBL_1365601 (CHEMBL3297382)
EC50
60000±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:
HEM2_ECOLI | Porphobilinogen synthase | hemB | ncf
Type:
Enzyme
Mol. Mass.:
35617.37
Organism:
Escherichia coli
Description:
P0ACB2
Residue:
324
Sequence:
MTDLIQRPRRLRKSPALRAMFEETTLSLNDLVLPIFVEEEIDDYKAVEAMPGVMRIPEKHLAREIERIANAGIRSVMTFGISHHTDETGSDAWREDGLVARMSRICKQTVPEMIVMSDTCFCEYTSHGHCGVLCEHGVDNDATLENLGKQAVVAAAAGADFIAPSAAMDGQVQAIRQALDAAGFKDTAIMSYSTKFASSFYGPFREAAGSALKGDRKSYQMNPMNRREAIRESLLDEAQGADCLMVKPAGAYLDIVRELRERTELPIGAYQVSGEYAMIKFAALAGAIDEEKVVLESLGSIKRAGADLIFSYFALDLAEKKILR
  
Inhibitor
Name:
BDBM50441099
Synonyms:
CHEMBL2430574
Type:
Small organic molecule
Emp. Form.:
C23H18F3N3O3S
Mol. Mass.:
473.468
SMILES:
OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)c(CCNC(=O)c3cccs3)nc2c1
Structure:
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