Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50241354
Substrate
n/a
Meas. Tech.
ChEMBL_1523541 (CHEMBL3631189)
Temperature
298.15±n/a K
Ki
6211±n/a nM
Comments
extracted
Citation
 Karioti, A; Ceruso, M; Carta, F; Bilia, AR; Supuran, CT New natural product carbonic anhydrase inhibitors incorporating phenol moieties. Bioorg Med Chem 23:7219-25 (2015) [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:
BDBM50241354
Synonyms:
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chromen-4-one | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one | 3,3',4',5,7-pentahydroxyflavone-3-beta-O-glucoside | 3-glucoside isoquercitrin | CHEMBL250450 | Hyperin | Hyperoside | NSC-407304 | Quercetin 3-O-beta-D-glucoside | Quercetin-3-O-beta-D-galactopyranoside | Quercetin-3-glucoside | cid_5280804 | cid_5378597 | hirsutrin | hydroside | isoquercetin | isoquercetrin | quercetin -3-O-beta-D-galactopyranoside | quercetin 3-O-beta-D-galactopyranoside | quercetin 3-O-beta-D-glucopyranoside | quercetin 3-O-galactoside | quercetin 3-O-glucopyranoside | quercetin 3-O-glucoside | quercetin-3-galactoside
Type:
Small organic molecule
Emp. Form.:
C21H20O12
Mol. Mass.:
464.3763
SMILES:
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure:
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