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Target
Carbonic anhydrase 1
Ligand
BDBM50252997
Substrate
n/a
Meas. Tech.
ChEMBL_1685229 (CHEMBL4035708)
Ki
0.900000±n/a nM
Citation
 Alt?ntop, MD; Sever, B; Özdemir, A; Kucukoglu, K; Onem, H; Nadaroglu, H; Kaplanc?kl?, ZA Potential inhibitors of human carbonic anhydrase isozymes I and II: Design, synthesis and docking studies of new 1,3,4-thiadiazole derivatives. Bioorg Med Chem 25:3547-3554 (2017) [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:
BDBM50252997
Synonyms:
CHEMBL4098116
Type:
Small organic molecule
Emp. Form.:
C21H15ClN6O4S2
Mol. Mass.:
514.965
SMILES:
[O-][N+](=O)c1cc(Cl)ccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1
Structure:
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