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Target
Carbonic anhydrase 1
Ligand
BDBM34571
Substrate
n/a
Meas. Tech.
ChEMBL_1727667 (CHEMBL4142945)
Ki
>10000±n/a nM
Citation
 De Luca, L; Mancuso, F; Ferro, S; Buemi, MR; Angeli, A; Del Prete, S; Capasso, C; Supuran, CT; Gitto, R Inhibitory effects and structural insights for a novel series of coumarin-based compounds that selectively target human CA IX and CA XII carbonic anhydrases. Eur J Med Chem 143:276-282 (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:
BDBM34571
Synonyms:
6,7-bis(oxidanyl)chromen-2-one | 6,7-dihydroxy-1-benzopyran-2-one | 6,7-dihydroxychromen-2-one | CHEMBL244743 | MLS000069479 | SMR000059055 | cid_5281416 | esculetin
Type:
Small organic molecule
Emp. Form.:
C9H6O4
Mol. Mass.:
178.1415
SMILES:
Oc1cc2ccc(=O)oc2cc1O
Structure:
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