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Reaction Details
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TargetCarbonic anhydrase 1
LigandBDBM248142
Substrate/Competitorn/a
Meas. Tech.CA Inhibition Assay
pH7.5±n/a
Temperature298.15±n/a K
Ki 8.01e+3± 0 nM
Commentsextracted
Citation Durdagi, SScozzafava, GVullo, DSahin, HKolayli, SSupuran, CT Inhibition of mammalian carbonic anhydrases I-XIV with grayanotoxin III: solution and in silico studies. J Enzyme Inhib Med Chem29:469-75 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 1
Name:Carbonic anhydrase
Synonyms:CA-I | CAB | Carbonate dehydratase I | 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 (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:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM248142
NameBDBM248142
Synonyms:Grayanotoxin III (GTX3)
TypeSmall organic molecule
Emp. Form.C20H34O6
Mol. Mass.370.4804
SMILESC[C@@]1(O)CC23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CCC1[C@H]3O |r,TLB:25:24:20.22.21:3.1|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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