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Target
Carbonic anhydrase 1
Ligand
BDBM50449818
Substrate
n/a
Meas. Tech.
ChEMBL_1740743 (CHEMBL4156493)
Kd
100000±n/a nM
Citation
 Zakšauskas, A; Čapkauskaitė, E; Jezepčikas, L; Linkuvienė, V; Kišonaitė, M; Smirnov, A; Manakova, E; Gražulis, S; Matulis, D Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem 156:61-78 (2018) [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:
BDBM50449818
Synonyms:
CHEMBL4165896
Type:
Small organic molecule
Emp. Form.:
C12H14Cl2N2O5S
Mol. Mass.:
369.23
SMILES:
COC(=O)CCCNC(=O)c1cc(c(Cl)cc1Cl)S(N)(=O)=O
Structure:
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