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Target
Carbonic anhydrase 1
Ligand
BDBM50329761
Substrate
n/a
Meas. Tech.
ChEMBL_674740 (CHEMBL1273993)
Kd
100±n/a nM
Citation
 Sudžius, J; Baranauskiene, L; Golovenko, D; Matuliene, J; Michailoviene, V; Torresan, J; Jachno, J; Sukackaite, R; Manakova, E; Gražulis, S; Tumkevičius, S; Matulis, D 4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII. Bioorg Med Chem 18:7413-21 (2010) [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:
BDBM50329761
Synonyms:
4-{[N-(6-Chloro-5-cyano-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | CHEMBL1272285
Type:
Small organic molecule
Emp. Form.:
C13H12ClN5O2S2
Mol. Mass.:
369.85
SMILES:
CSc1nc(Cl)c(C#N)c(NCc2ccc(cc2)S(N)(=O)=O)n1
Structure:
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