Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50114193
Substrate
n/a
Meas. Tech.
ChEMBL_45045 (CHEMBL658043)
Ki
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:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
Inhibitor
Name:
BDBM50114193
Synonyms:
(R)-4-((7S,8S,9S,10R,12R,14S,17R)-3,7-Dihydroxy-10-(R)-methyl-13-methyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid [3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2Z)-ylidene]-amide | CHEMBL2113375
Type:
Small organic molecule
Emp. Form.:
C27H44N4O5S2
Mol. Mass.:
568.792
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])CC[C@]12C)[C@H](C)CCC(=O)\N=c1/sc(nn1C)S(N)(=O)=O
Structure:
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