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Target
Carbonic anhydrase 12
Ligand
BDBM50100320
Substrate
n/a
Meas. Tech.
ChEMBL_646962 (CHEMBL1217103)
Ki
190±n/a nM
Citation
 Carta, F; Temperini, C; Innocenti, A; Scozzafava, A; Kaila, K; Supuran, CT Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem 53:5511-22 (2010) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 12
Synonyms:
CA-XII | CA12 | CAH12_HUMAN | Carbonate dehydratase XII | Carbonic anhydrase | Carbonic anhydrase 12 (CA XII) | Carbonic anhydrase XII | Carbonic anhydrase XII (CA XII) | Carbonic anhydrase XII (CAXII) | Tumor antigen HOM-RCC-3.1.3
Type:
Enzyme
Mol. Mass.:
39456.00
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
354
Sequence:
MPRRSLHAAAVLLLVILKEQPSSPAPVNGSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQVQVCTAAGLSLGIILSLALAGILGICIVVVVSIWLFRRKSIKKGDNKGVIYKPATKMETEAHA
  
Inhibitor
Name:
BDBM50100320
Synonyms:
2-Naphthalen-1-yl-1-(4-{[4-(2-piperidin-1-yl-ethylamino)-butylamino]-methyl}-piperidin-1-yl)-ethanone | CHEMBL25101 | N-(3-(4-(3-aminopropylamino)butylamino)propyl)-2-(naphthalen-1-yl)acetamide | N-{3-[4-(3-Amino-propylamino)-butylamino]-propyl}-2-naphthalen-1-yl-acetamide
Type:
Small organic molecule
Emp. Form.:
C22H34N4O
Mol. Mass.:
370.5316
SMILES:
NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: