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Target
Carbonic anhydrase 1
Ligand
BDBM50106423
Substrate
n/a
Meas. Tech.
ChEMBL_1508536 (CHEMBL3602572)
Ki
174±n/a nM
Citation
 Meleddu, R; Maccioni, E; Distinto, S; Bianco, G; Melis, C; Alcaro, S; Cottiglia, F; Ceruso, M; Supuran, CT New 4-[(3-cyclohexyl-4-aryl-2,3-dihydro-1,3-thiazol-2-ylidene)amino]benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, XII. Bioorg Med Chem Lett 25:3281-4 (2015) [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:
BDBM50106423
Synonyms:
CHEMBL3601891
Type:
Small organic molecule
Emp. Form.:
C22H25N3O3S2
Mol. Mass.:
443.582
SMILES:
COc1ccc(cc1)-c1cs\c(=N/c2ccc(cc2)S(N)(=O)=O)n1C1CCCCC1
Structure:
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