Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50500675
Substrate
n/a
Meas. Tech.
ChEMBL_1549335 (CHEMBL3755041)
Ki
>10000±n/a nM
Citation
 Villalba, ML; Palestro, P; Ceruso, M; Gonzalez Funes, JL; Talevi, A; Bruno Blanch, L; Supuran, CT; Gavernet, L Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action. Bioorg Med Chem 24:894-901 (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:
BDBM50500675
Synonyms:
CHEMBL3752037
Type:
Small organic molecule
Emp. Form.:
C14H22N2O4S
Mol. Mass.:
314.4
SMILES:
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r|
Structure:
Search PDB for entries with ligand similarity: