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TargetCarbonic anhydrase 1
LigandBDBM50167412
Substrate/Competitorn/a
Meas. Tech.ChEMBL_302503 (CHEMBL828219)
Ki 14±n/a nM
Citation Puccetti, LFasolis, GVullo, DChohan, ZHScozzafava, ASupuran, CT Carbonic anhydrase inhibitors. Inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with Schiff's bases incorporating chromone and aromatic sulfonamide moieties, and their zinc complexes. Bioorg Med Chem Lett15:3096-101 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 1
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:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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  Blast E-value cutoff:
BDBM50167412
n/a
NameBDBM50167412
Synonyms:CHEMBL382309 | sulfanilamide derivative
TypeSmall organic molecule
Emp. Form.C38H40Cl2N4O8S2Zn
Mol. Mass.881.191
SMILESCc1ccc2OC=C3CN(CCc4ccc(cc4)S(N)(=O)=O)[Zn]4(Cl)(Cl)(OC3c2c1)OC1C(CN4CCc2ccc(cc2)S(N)(=O)=O)=COc2ccc(C)cc12 |c:51,t:6|
Structure
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