Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50114129
Substrate
n/a
Meas. Tech.
ChEMBL_45045 (CHEMBL658043)
Ki
1.2±n/a nM
Citation
 Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Preparation of potent sulfonamides inhibitors incorporating bile acid tails. Bioorg Med Chem Lett 12:1551-7 (2002) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Human
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
Inhibitor
Name:
BDBM50114129
Synonyms:
4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydroxy-7-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid [2-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethyl]-amide | CHEMBL3137802
Type:
Small organic molecule
Emp. Form.:
C29H47N5O7S2
Mol. Mass.:
641.843
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Structure:
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