Reaction Details Report a problem with these data
Target
Phosphomannomutase 2
Ligand
BDBM44440
Substrate
n/a
Meas. Tech.
ChEMBL_747526 (CHEMBL1777060)
IC50
17900±n/a nM
Citation
Dahl, R; Bravo, Y; Sharma, V; Ichikawa, M; Dhanya, RP; Hedrick, M; Brown, B; Rascon, J; Vicchiarelli, M; Mangravita-Novo, A; Yang, L; Stonich, D; Su, Y; Smith, LH; Sergienko, E; Freeze, HH; Cosford, ND Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem 54:3661-8 (2011) [PubMed] Article
More Info.:
Target
Name:
Phosphomannomutase 2
Synonyms:
PMM2 | PMM2_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
28082.33
Organism:
Homo sapiens (Human)
Description:
gi_4557839
Residue:
246
Sequence:
MAAPGPALCLFDVDGTLTAPRQKITKEMDDFLQKLRQKIKIGVVGGSDFEKVQEQLGNDVVEKYDYVFPENGLVAYKDGKLLCRQNIQSHLGEALIQDLINYCLSYIAKIKLPKKRGTFIEFRNGMLNVSPIGRSCSQEERIEFYELDKKENIRQKFVADLRKEFAGKGLTFSIGGQISFDVFPDGWDKRYCLRHVENDGYKTIYFFGDKTMPGGNDHEIFTDPRTMGYSVTAPEDTRRICELLFS
Inhibitor
Name:
BDBM44440
Synonyms:
2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide | 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)acetamide | 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide | 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)ethanamide | MLS000058088 | SMR000067519 | cid_2090174
Type:
Small organic molecule
Emp. Form.:
C22H20N4O2S
Mol. Mass.:
404.485
SMILES:
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C