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Target
Arylsulfatase
Ligand
BDBM50400983
Substrate
n/a
Meas. Tech.
ChEMBL_879583 (CHEMBL2209033)
IC50
800000±n/a nM
Citation
 Lenger, J; Schröder, M; Ennemann, EC; Müller, B; Wong, CH; Noll, T; Dierks, T; Hanson, SR; Sewald, N Evaluation of sulfatase-directed quinone methide traps for proteomics. Bioorg Med Chem 20:622-7 (2012) [PubMed]  Article 
Target
Name:
Arylsulfatase
Synonyms:
AS | ATSA_KLEPN | Aryl-sulfate sulphohydrolase | atsA
Type:
PROTEIN
Mol. Mass.:
64155.34
Organism:
Klebsiella pneumoniae
Description:
ChEMBL_879573
Residue:
577
Sequence:
MNKKAMAAAVSMILAGGAHAAQQERPNVIVIIADDMGYSDISPFGGEIPTPNLQAMAEQGMRMSQYYTSPMSAPARSMLLTGNSNQQAGMGGMWWYDSTIGKEGYELRLTDRVTTMAERFKDAGYNTLMAGKWHLGFVPGATPKERGFNHAFAFMGGGTSHFNDAIPLGTVEAFHTYYTRDGERVSLPDDFYSSEAYARQMNSWIKATPKEQPVFAWLAFTAPHDPLQAPDEWIKRFKGQYEQGYAEVYRQRIARLKALGIIHDDTPLPHLELDKEWEALTPEQQKYTAKVMQVYAAMIANMDAQIGTLMETLKQTGRDKNTLLVFLTDNGANPAQGFYYESTPEFWKQFDNSYDNVGRKGSFVSYGPHWANVSNAPYANYHKTTSAQGGINTDFMISGPGITRHGKIDASTMAVYDVAPTLYEFAGIDPNKSLAKKPVLPMIGVSFKRYLTGEVQEPPRGNYGVELHHQAAWVDGEWKLRRLVPRGLTAGDAPWQLFNLHDDPLETHDVAAEHPDRVKAMSEAYEAFAKRTMVTKAQGKMIDYVGIDSKTGRYLAVDPATMKPVPAPQAIPVSEIH
  
Inhibitor
Name:
BDBM50400983
Synonyms:
CHEMBL2205726
Type:
Small organic molecule
Emp. Form.:
C14H21FN2O7S
Mol. Mass.:
380.389
SMILES:
[NH3+]CCOCCOCCNC(=O)C(F)c1ccc(OS([O-])(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: