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Target
Carbonic anhydrase 1
Ligand
BDBM258855
Substrate
n/a
Meas. Tech.
Carbonic Anhydrase Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
>10000±n/a nM
Comments
extracted
Citation
 Lücking, U; Kosemund, D; Bohlmann, R; Scholz, A; Lienau, P; Siemeister, G; Bömer, U 4-(ortho)-fluorophenyl-5-fluoropyrimidin-2-yl amines containing a sulfoximine group US Patent  US9499492 Publication Date 11/22/2016 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM258855
Synonyms:
US9499492, 7
Type:
Small organic molecule
Emp. Form.:
C20H15F6N5O2S
Mol. Mass.:
503.421
SMILES:
CS(=O)(Cc1cc(Nc2ncc(F)c(n2)-c2ccc(F)cc2F)cc(c1)C(F)(F)F)=NC(N)=O
Structure:
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