Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM13058
Substrate
BDBM11326
Meas. Tech.
Carbonic Anhydrase Inhibition Assay
pH
7.8±n/a
Temperature
293.15±n/a K
IC50
22±4 nM
Citation
 Lloyd, MD; Thiyagarajan, N; Ho, YT; Woo, LW; Sutcliffe, OB; Purohit, A; Reed, MJ; Acharya, KR; Potter, BV First crystal structures of human carbonic anhydrase II in complex with dual aromatase-steroid sulfatase inhibitors. Biochemistry 44:6858-66 (2005) [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:
BDBM13058
Synonyms:
6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate | 667-COUMATE | 667COUMATE | BN83495 | CHEMBL286738 | CMT | STX64 | {9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate
Type:
Small organic molecule
Emp. Form.:
C14H15NO5S
Mol. Mass.:
309.338
SMILES:
NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11326
Synonyms:
4-nitrophenyl acetate | p-Nitrophenyl Acetate
Type:
Small organic molecule
Emp. Form.:
C8H7NO4
Mol. Mass.:
181.1455
SMILES:
CC(=O)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: