Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM103914
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±0
Temperature
298.15±0 K
IC50
405±0.0 nM
Citation
 Babich, JW; Zimmerman, C; Joyal, J; Maresca, KP; Marquis, J; Lu, G; Wang, J; Hillier, S Technetium- and rhenium-bis(heteroaryl) complexes and methods of use thereof US Patent  US8562945 Publication Date 10/22/2013 
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:
BDBM103914
Synonyms:
US8562945, 249
Type:
Small organic molecule
Emp. Form.:
C23H32N5O4ReS2
Mol. Mass.:
692.868
SMILES:
NOOSc1ccc(NC(=S)NCCCCCCCC[N@@]23CC(=O)O[Re]2[N]2=C(C3)C=CC=C2)cc1 |r,c:27,31,33|
Structure:
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