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Target
Carbonic anhydrase 1
Ligand
BDBM50494032
Substrate
n/a
Meas. Tech.
ChEMBL_989830 (CHEMBL2446506)
Kd
0.500000±n/a nM
Citation
 Čapkauskaitė, E; Zubrienė, A; Smirnov, A; Torresan, J; Kišonaitė, M; Kazokaitė, J; Gylytė, J; Michailovienė, V; Jogaitė, V; Manakova, E; Gražulis, S; Tumkevičius, 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:
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 | CA-I | CAB | CAH1_HUMAN | CA1 | Carbonic anhydrase | Carbonic anhydrase I
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Human
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50494032
Synonyms:
CHEMBL2443200
Type:
Small organic molecule
Emp. Form.:
C16H18ClN3O4S2
Mol. Mass.:
415.92
SMILES:
CC(C)(C)c1cc(=O)[nH]c(SCC(=O)c2ccc(c(Cl)c2)S(N)(=O)=O)n1
Structure:
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