Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase
LigandBDBM50252997
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1685229
Ki 0.900000±n/a nM
Citation Alt?ntop MDSever BÖzdemir AKucukoglu KOnem HNadaroglu HKaplanc?kl? ZA Potential inhibitors of human carbonic anhydrase isozymes I and II: Design, synthesis and docking studies of new 1,3,4-thiadiazole derivatives. Bioorg Med Chem 25:3547-3554 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase
Name:Carbonic anhydrase
Synonyms:CA-I | CAB | Carbonate dehydratase I | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:Enzyme
Mol. Mass.:28873.37
Organism:Homo sapiens (Human)
Description:P00915
Residue:261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50252997
n/a
NameBDBM50252997
Synonyms:CHEMBL4098116
TypeSmall organic molecule
Emp. Form.C21H15ClN6O4S2
Mol. Mass.514.965
SMILES[O-][N+](=O)c1cc(Cl)ccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: