Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50114230
Substrate
n/a
Meas. Tech.
ChEBML_45264
Ki
420±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 4
Synonyms:
CA-IV | CA4 | CAH4_BOVIN | Carbonate dehydratase IV | Carbonic Anhydrase IV | Carbonic anhydrase | Carbonic anhydrase 4
Type:
Enzyme
Mol. Mass.:
35152.74
Organism:
Bos taurus (bovine)
Description:
Bovine isozyme, isolated from lung microsomes
Residue:
312
Sequence:
MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAKTQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSRAMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQPLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQKPIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLAPVLACLTVGFLR
  
Inhibitor
Name:
BDBM50114230
Synonyms:
(R)-4-((5S,6R,8S,9S,12S,14R,17S)-7-Hydroxy-3-(R)-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid (5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-amide | CHEMBL3137761
Type:
Small organic molecule
Emp. Form.:
C26H42N4O6S2
Mol. Mass.:
570.765
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)Nc1nnc(s1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: