Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 2
LigandBDBM50097289
Substrate/Competitorn/a
Meas. Tech.ChEMBL_45044 (CHEMBL658042)
Ki 1.5±n/a nM
Citation Scozzafava, AMenabuoni, LMincione, FSupuran, CT Carbonic anhydrase inhibitors. A general approach for the preparation of water-soluble sulfonamides incorporating polyamino-polycarboxylate tails and of their metal complexes possessing long-lasting, topical intraocular pressure-lowering properties. J Med Chem45:1466-76 (2002) [PubMed]
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:
BDBM50097289
n/a
NameBDBM50097289
Synonyms:((2-{Carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2Z)-ylidenecarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2E)-ylidenecarbamoyl]-methyl}-amino)-acetic acid | CHEMBL154106 | CHEMBL1795056 | CHEMBL35367 | Zinc; {{2-[Carboxymethyl-(2-{carboxymethyl-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-acetic acid
TypeSmall organic molecule
Emp. Form.C20H31N11O12S4
Mol. Mass.745.787
SMILESCn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)N=c1sc(nn1C)S(N)(=O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:24.24,6.7|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: