Reaction Details Report a problem with these data
Target
Succinyl-diaminopimelate desuccinylase
Ligand
BDBM56042
Substrate
n/a
Meas. Tech.
ChEMBL_2294304
IC50
57300±n/a nM
Citation
 DiPuma, T; Thabthimthong, T; Kelley, EH; Konczak, K; Beulke, M; Herbert, C; S Habeeb Mohammad, T; Starus, A; Nocek, B; Olsen, KW; Holz, RC; Becker, DP Tetrazole-based inhibitors of the bacterial enzyme N-succinyl-l,l-2,6-diaminopimelic acid desuccinylase as potential antibiotics. Bioorg Med Chem Lett 83:0 (2023) [PubMed] 
Target
Name:
Succinyl-diaminopimelate desuccinylase
Synonyms:
DAPE_HAEIN | dapE
Type:
PROTEIN
Mol. Mass.:
41343.05
Organism:
Haemophilus influenzae
Description:
ChEMBL_617887
Residue:
377
Sequence:
MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLNLWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAADMKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLMARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQGHVAYPHLAENPIHKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGTGSNNVIPAELYIQFNLRYCTEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIEETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDLGKCGEIYHKMLVNLLDS
  
Inhibitor
Name:
BDBM56042
Synonyms:
MLS000057408 | N-(5-chloranylpyridin-2-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide | N-(5-chloro-2-pyridinyl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide | N-(5-chloro-2-pyridyl)-2-[(1-phenyltetrazol-5-yl)thio]propionamide | N-(5-chloropyridin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide | SMR000068849 | cid_2997906
Type:
Small organic molecule
Emp. Form.:
C15H13ClN6OS
Mol. Mass.:
360.821
SMILES:
CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
Structure:
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