Target
Carbonic anhydrase 1
Ligand
BDBM50206509
Substrate
n/a
Meas. Tech.
ChEMBL_1511757 (CHEMBL3607714)
Ki
>10000±n/a nM
Citation
 Mollica, ACostante, RAkdemir, ACarradori, SStefanucci, AMacedonio, GCeruso, MSupuran, CT Exploring new Probenecid-based carbonic anhydrase inhibitors: Synthesis, biological evaluation and docking studies. Bioorg Med Chem 23:5311-8 (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:
BDBM50206509
Synonyms:
4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfamoyl-benzoic acid anion | 4-Dipropylsulfamoyl-benzoic acid(probenecid) | Benemid | CHEMBL897 | PROBENECID | Probalan
Type:
Small organic molecule
Emp. Form.:
C13H19NO4S
Mol. Mass.:
285.359
SMILES:
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Structure:
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