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Target
Carbonic anhydrase 1
Ligand
BDBM246511
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
IC50
1.6413e+5±n/a nM
Citation
 Celik, F; Arslan, M; Yavuz, E; Demir, D; Gençer, N Synthesis and carbonic anhydrase inhibitory properties of novel 1,4-dihydropyrimidinone substituted diarylureas. J Enzyme Inhib Med Chem 29:18-22 (2014) [PubMed]  Article 
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:
BDBM246511
Synonyms:
1-(3-Methoxyphenyl)-3-(4-(1,3,7,7-tetramethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquina zolin-4-yl)phenyl)thiourea (4g)
Type:
Small organic molecule
Emp. Form.:
C26H30N4O3S
Mol. Mass.:
478.606
SMILES:
COc1cccc(NC(=S)Nc2ccc(cc2)C2N(C)C(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 |c:25|
Structure:
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