Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM14727
Substrate
BDBM11326
Meas. Tech.
Esterase Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
4±n/a nM
Citation
Casey, JR; Morgan, PE; Vullo, D; Scozzafava, A; Mastrolorenzo, A; Supuran, CT Carbonic anhydrase inhibitors. Design of selective, membrane-impermeant inhibitors targeting the human tumor-associated isozyme IX. J Med Chem 47:2337-47 (2004) [PubMed] Article
More Info.:
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:
BDBM14727
Synonyms:
1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfonyl-4-phenyl)]-2-methyl-4,6-diphenylpyridinium perchlorate | 2-methyl-4,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate | pyridinium-containing sulfonamide analog 14j
Type:
Small organic molecule
Emp. Form.:
C26H22N5O4S3
Mol. Mass.:
564.678
SMILES:
Cc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1