Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50068120
Substrate
n/a
Meas. Tech.
ChEMBL_1464058 (CHEMBL3406243)
Ki
52±n/a nM
Citation
 Yildirim, A; Atmaca, U; Keskin, A; Topal, M; Çelik, M; Gülçin, I; Supuran, CT N-Acylsulfonamides strongly inhibit human carbonic anhydrase isoenzymes I and II. Bioorg Med Chem 23:2598-605 (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:
BDBM50068120
Synonyms:
CHEMBL3402253
Type:
Small organic molecule
Emp. Form.:
C16H13Cl6NO7S
Mol. Mass.:
576.06
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14|
Structure:
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