Reaction Details Report a problem with these data
Target
Mannose-6-phosphate isomerase
Ligand
BDBM50071515
Substrate
n/a
Meas. Tech.
ChEBML_222749
IC50
30000±n/a nM
Citation
 Bhandari, A; Jones, DG; Schullek, JR; Vo, K; Schunk, CA; Tamanaha, LL; Chen, D; Yuan, Z; Needels, MC; Gallop, MA Exploring structure-activity relationships around the phosphomannose isomerase inhibitor AF14049 via combinatorial synthesis. Bioorg Med Chem Lett 8:2303-8 (1999) [PubMed]  Article 
Target
Name:
Mannose-6-phosphate isomerase
Synonyms:
MANA | MPI_CANAL | PMI1
Type:
PROTEIN
Mol. Mass.:
48856.42
Organism:
Candida albicans
Description:
ChEMBL_222749
Residue:
441
Sequence:
MSSEKLFRIQCGYQNYDWGKIGSSSAVAQFVHNSDPSITIDETKPYAELWMGTHPSVPSKAIDLNNQTLRDLVTAKPQEYLGESIITKFGSSKELPFLFKVLSIEKVLSIQAHPDKKLGAQLHAADPKNYPDDNHKPEMAIAVTDFEGFCGFKPLDQLAKTLATVPELNEIIGQELVDEFISGIKLPAEVGSQDDVNNRKLLQKVFGKLMNTDDDVIKQQTAKLLERTDREPQVFKDIDSRLPELIQRLNKQFPNDIGLFCGCLLLNHVGLNKGEAMFLQAKDPHAYISGDIIECMAASDNVVRAGFTPKFKDVKNLVEMLTYSYESVEKQKMPLQEFPRSKGDAVKSVLYDPPIAEFSVLQTIFDKSKGGKQVIEGLNGPSIVIATNGKGTIQITGDDSTKQKIDTGYVFFVAPGSSIELTADSANQDQDFTTYRAFVEA
  
Inhibitor
Name:
BDBM50071515
Synonyms:
2-[4-(2,4,5-Trichloro-phenoxy)-butyrylamino]-indan-2-carboxylic acid amide | CHEMBL75281
Type:
Small organic molecule
Emp. Form.:
C20H19Cl3N2O3
Mol. Mass.:
441.735
SMILES:
NC(=O)C1(Cc2ccccc2C1)NC(=O)CCCOc1cc(Cl)c(Cl)cc1Cl
Structure:
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