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Target
Carbonic anhydrase 1
Ligand
BDBM50028557
Substrate
n/a
Meas. Tech.
ChEMBL_1438346 (CHEMBL3382409)
Ki
61±n/a nM
Citation
 Ghorab, MM; Ceruso, M; Alsaid, MS; Nissan, YM; Arafa, RK; Supuran, CT Novel sulfonamides bearing pyrrole and pyrrolopyrimidine moieties as carbonic anhydrase inhibitors: Synthesis, cytotoxic activity and molecular modeling. Eur J Med Chem 87:186-96 (2014) [PubMed]  Article 
Target
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:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50028557
Synonyms:
CHEMBL3342496
Type:
Small organic molecule
Emp. Form.:
C18H14BrN5O3S
Mol. Mass.:
460.304
SMILES:
Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Structure:
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