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Target
Carbonic anhydrase 1
Ligand
BDBM50380159
Substrate
n/a
Meas. Tech.
ChEMBL_989830 (CHEMBL2446506)
Kd
1250±n/a nM
Citation
 ?apkauskait?, E; Zubrien?, A; Smirnov, A; Torresan, J; Ki?onait?, M; Kazokait?, J; Gylyt?, J; Michailovien?, V; Jogait?, V; Manakova, E; Gra?ulis, S; Tumkevi?ius, S; Matulis, D Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII. Bioorg Med Chem 21:6937-47 (2013) [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:
BDBM50380159
Synonyms:
CHEMBL2010995
Type:
Small organic molecule
Emp. Form.:
C15H14ClN3O6S2
Mol. Mass.:
431.871
SMILES:
CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)[nH]c1=O
Structure:
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