Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 2
LigandBDBM50067997
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1632268 (CHEMBL3874974)
Ki 49±n/a nM
Citation Vullo, DDel Prete, SNocentini, AOsman, SMAlOthman, ZCapasso, CBozdag, MCarta, FGratteri, PSupuran, CT Dithiocarbamates effectively inhibit the฿-carbonic anhydrase from the dandruff-producing fungus Malassezia globosa. Bioorg Med Chem25:1260-1265 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 2
Name:Carbonic anhydrase 2
Synonyms:CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:Enzyme
Mol. Mass.:29250.71
Organism:Homo sapiens (Human)
Description:P00918
Residue:260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRIL
NNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHL
VHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDP
RGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELM
VDNWRPAQPLKNRQIKASFK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50067997
n/a
NameBDBM50067997
Synonyms:CHEMBL3400801
TypeSmall organic molecule
Emp. Form.C8H13N2NaS2
Mol. Mass.224.322
SMILES[Na+].[S-]C(=S)NC1CN2CCC1CC2 |(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: