Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50079043
Substrate
n/a
Meas. Tech.
ChEMBL_44860 (CHEMBL858760)
Ki
6100±n/a nM
Citation
 Agrawal, VK; Khadikar, PV Modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy. Bioorg Med Chem Lett 13:447-53 (2003) [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:
BDBM50079043
Synonyms:
4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid diamide | 4-amino-5,6-dichlorobenzene-1,3-disulfonamide | BDBM50222601 | CHEMBL269628
Type:
Small organic molecule
Emp. Form.:
C6H7Cl2N3O4S2
Mol. Mass.:
320.173
SMILES:
Nc1c(Cl)c(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Structure:
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