Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50329822
Substrate
n/a
Meas. Tech.
ChEMBL_1572863 (CHEMBL3800999)
Kd
2200±n/a nM
Citation
Talibov, VO; Linkuviene, V; Matulis, D; Danielson, UH Kinetically Selective Inhibitors of Human Carbonic Anhydrase Isozymes I, II, VII, IX, XII, and XIII. J Med Chem 59:2083-93 (2016) [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:
BDBM50329822
Synonyms:
5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide | CHEMBL1272242 | N-alkylated benzimidazole derivative, 4d | carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 5
Type:
Small organic molecule
Emp. Form.:
C22H18ClN3O3S
Mol. Mass.:
439.915
SMILES:
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12