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Target
Carbonic anhydrase 1
Ligand
BDBM50449812
Substrate
n/a
Meas. Tech.
ChEMBL_1740758 (CHEMBL4156508)
Kd
26±n/a nM
Citation
 Zak?auskas, A; ?apkauskait?, E; Jezep?ikas, L; Linkuvien?, V; Ki?onait?, M; Smirnov, A; Manakova, E; Gra?ulis, S; Matulis, D Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem 156:61-78 (2018) [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:
BDBM50449812
Synonyms:
CHEMBL4176828
Type:
Small organic molecule
Emp. Form.:
C15H22ClN3O4S
Mol. Mass.:
375.871
SMILES:
NS(=O)(=O)c1cc(C(=O)NCCO)c(NC2CCCCC2)cc1Cl
Structure:
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