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Target
Carbonic anhydrase 1
Ligand
BDBM50108586
Substrate
n/a
Meas. Tech.
ChEMBL_47501 (CHEMBL662728)
Ki
70±n/a nM
Citation
 Masereel, B; Rolin, S; Abbate, F; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties. J Med Chem 45:312-20 (2002) [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:
BDBM50108586
Synonyms:
2-Propyl-pentanoic acid (3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidene)-amide | CHEMBL419553
Type:
Small organic molecule
Emp. Form.:
C11H20N4O3S2
Mol. Mass.:
320.432
SMILES:
CCCC(CCC)C(=O)N=c1sc(nn1C)S(N)(=O)=O |w:9.8|
Structure:
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