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Target
Carbonic anhydrase 1
Ligand
BDBM50004998
Substrate
n/a
Meas. Tech.
ChEMBL_965226 (CHEMBL2394011)
IC50
157±n/a nM
Citation
 Wang, L; Yang, C; Lu, W; Liu, L; Gao, R; Liao, S; Zhao, Z; Zhu, L; Xu, Y; Li, H; Huang, J; Zhu, W Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening. Bioorg Med Chem Lett 23:3496-9 (2013) [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:
BDBM50004998
Synonyms:
CHEMBL2392426
Type:
Small organic molecule
Emp. Form.:
C21H18N4O4S
Mol. Mass.:
422.457
SMILES:
Cc1ccc(cc1)N1NC(=O)\C(=C\c2cccn2-c2ccc(cc2)S(N)(=O)=O)C1=O
Structure:
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