Reaction Details Report a problem with these data
Target
Carbonic anhydrase 12
Ligand
BDBM10868
Substrate
n/a
Meas. Tech.
ChEMBL_643932 (CHEMBL1211831)
Ki
34±n/a nM
Citation
 Avvaru, BS; Wagner, JM; Maresca, A; Scozzafava, A; Robbins, AH; Supuran, CT; McKenna, R Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg Med Chem Lett 20:4376-81 (2010) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | CA12 | CAH12_HUMAN | Carbonate dehydratase XII | Carbonic anhydrase | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII | Carbonic anhydrase XII (CA XII) | Carbonic anhydrase XII (CAXII) | Tumor antigen HOM-RCC-3.1.3
Type:
Enzyme
Mol. Mass.:
39456.00
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM10868
Synonyms:
1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadiazole-2-sulfonamide 15 | 5-Amino-1,3,4-thiadiazole-2-sulphonamide (1) | 5-amino-1,3,4-thiadiazole-2-sulfonamide | CHEMBL265674 | aromatic/heteroaromatic sulfonamide 13
Type:
Small organic molecule
Emp. Form.:
C2H4N4O2S2
Mol. Mass.:
180.209
SMILES:
Nc1nnc(s1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: