Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 1
LigandBDBM50028561
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1438346 (CHEMBL3382409)
Ki 214±n/a nM
Citation Ghorab, MMCeruso, MAlsaid, MSNissan, YMArafa, RKSupuran, CT Novel sulfonamides bearing pyrrole and pyrrolopyrimidine moieties as carbonic anhydrase inhibitors: Synthesis, cytotoxic activity and molecular modeling. Eur J Med Chem87:186-96 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 1
Name:Carbonic anhydrase 1
Synonyms:CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | 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 | 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:
BDBM50028561
n/a
NameBDBM50028561
Synonyms:CHEMBL3342500
TypeSmall organic molecule
Emp. Form.C19H15BrN4O2S2
Mol. Mass.475.382
SMILESCc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: