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Target
Carbonic anhydrase 9
Ligand
BDBM50300204
Substrate
n/a
Meas. Tech.
ChEMBL_592891 (CHEMBL1046636)
Ki
353±n/a nM
Citation
 Temperini, C; Innocenti, A; Scozzafava, A; Parkkila, S; Supuran, CT The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors. J Med Chem 53:850-4 (2010) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 9
Synonyms:
CA-IX | CA9 | CAH9_HUMAN | Carbonate dehydratase IX | Carbonic anhydrase 9 (CA IX) | Carbonic anhydrase 9 (CAIX) | Carbonic anhydrase 9 precursor | Carbonic anhydrase IX (CA IX) | Carbonic anhydrase IX (CAIX) | Carbonic anhydrases IX | Carbonic anhydrases; II & IX | G250 | MN | Membrane antigen MN | RCC-associated antigen G250
Type:
Enzyme
Mol. Mass.:
49669.03
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of human cloned isozyme was used in the assay
Residue:
459
Sequence:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
  
Inhibitor
Name:
BDBM50300204
Synonyms:
(2R)-2-acetylamino-N-benzyl-3-methoxypropanamide | (R)-2-Acetylamino-N-benzyl-3-methoxy-propionamide | (R)-2-acetamido-N-benzyl-3-methoxypropanamide | (R)-N-benzyl 2-acetamido-3-methoxypropionamide | (R)-N-benzyl 2-acetamido-3-methoxypropionamide, | CHEMBL58323 | Erlosamide | LACOSAMIDE
Type:
Small organic molecule
Emp. Form.:
C13H18N2O3
Mol. Mass.:
250.2936
SMILES:
COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: