Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50092612
Substrate
n/a
Meas. Tech.
ChEMBL_1586601 (CHEMBL3821822)
Ki
48±n/a nM
Citation
 Mujumdar, P; Teruya, K; Tonissen, KF; Vullo, D; Supuran, CT; Peat, TS; Poulsen, SA An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition, and Protein X-ray Structures of Psammaplin C. J Med Chem 59:5462-70 (2016) [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:
BDBM50092612
Synonyms:
CHEMBL3586274
Type:
Small organic molecule
Emp. Form.:
C11H14BrN3O5S
Mol. Mass.:
380.215
SMILES:
NS(=O)(=O)CCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
Structure:
Search PDB for entries with ligand similarity: