Reaction Details Report a problem with these data
Target
Carbonic anhydrase 4
Ligand
BDBM50108585
Substrate
n/a
Meas. Tech.
ChEMBL_45269 (CHEMBL658221)
Ki
4±n/a nM
Citation
Masereel, B; Rolin, S; Abbate, F; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: anticonvulsant sulfonamides incorporating valproyl and other lipophilic moieties. J Med Chem 45:312-20 (2002) [PubMed] Article
More Info.:
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:
BDBM50108585
Synonyms:
3-[4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenylcarbamoyl]-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid | CHEMBL111216
Type:
Small organic molecule
Emp. Form.:
C17H17N5O7S3
Mol. Mass.:
499.541
SMILES:
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C4CC(C=C4)C3C(O)=O)cc2)s1 |c:23,TLB:26:25:23.24:21,THB:17:19:23.24:21|