Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50087045
Substrate
n/a
Meas. Tech.
ChEMBL_1477826 (CHEMBL3428830)
Ki
>10000±n/a nM
Citation
 Grandane, A; Tanc, M; Di Cesare Mannelli, L; Carta, F; Ghelardini, C; ?alubovskis, R; Supuran, CT 6-Substituted sulfocoumarins are selective carbonic anhdydrase IX and XII inhibitors with significant cytotoxicity against colorectal cancer cells. J Med Chem 58:3975-83 (2015) [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:
BDBM50087045
Synonyms:
CHEMBL3426539
Type:
Small organic molecule
Emp. Form.:
C14H10N2O4S
Mol. Mass.:
302.305
SMILES:
O=C(Nc1ccc2OS(=O)(=O)C=Cc2c1)c1cccnc1 |c:11|
Structure:
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