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Target
Carbonic anhydrase 1
Ligand
BDBM50366059
Substrate
n/a
Meas. Tech.
ChEMBL_807742 (CHEMBL1959870)
Ki
5790±n/a nM
Citation
 Moeker, J; Teruya, K; Rossit, S; Wilkinson, BL; Lopez, M; Bornaghi, LF; Innocenti, A; Supuran, CT; Poulsen, SA Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases. Bioorg Med Chem 20:2392-404 (2012) [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:
BDBM50366059
Synonyms:
CHEMBL1956765
Type:
Small organic molecule
Emp. Form.:
C15H23N3O7S2
Mol. Mass.:
421.489
SMILES:
NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Structure:
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