Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM25918
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
70±n/a nM
Citation
 Güzel, O; Innocenti, A; Scozzafava, A; Salman, A; Parkkila, S; Hilvo, M; Supuran, CT Carbonic anhydrase inhibitors: synthesis and inhibition studies against mammalian isoforms I-XV with a series of 2-(hydrazinocarbonyl)-3-substituted-phenyl-1H-indole-5-sulfonamides. Bioorg Med Chem 16:9113-20 (2008) [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:
BDBM25918
Synonyms:
2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophenyl)-1H-indole-5-sulfonamide | BMC173212 Compound 2n | indole sulfonamide, 8n
Type:
Small organic molecule
Emp. Form.:
C15H9F5N4O3S
Mol. Mass.:
420.314
SMILES:
NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(3.94,3.73,;2.61,4.5,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;-1.8,7.52,;-3.28,7.1,;-1.42,9.01,;-2.52,10.08,;.06,9.43,;.44,10.92,;1.17,8.36,;2.65,8.78,;.79,6.86,;1.89,5.79,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
Search PDB for entries with ligand similarity: