Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM10857
Substrate
n/a
Meas. Tech.
ChEMBL_807742 (CHEMBL1959870)
Ki
5000±n/a nM
Citation
Moeker, J; Teruya, K; Rossit, S; Wilkinson, BL; Lopez, M; Bornaghi, LF; Innocenti, A; Supuran, CT; Poulsen, SA Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases. Bioorg Med Chem 20:2392-404 (2012) [PubMed] Article
More Info.:
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:
BDBM10857
Synonyms:
4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanilamide | aromatic sulfonamide compound 5 | aromatic/heteroaromatic sulfonamide 2 | halogenosulfanilamide deriv. 5a
Type:
Small organic molecule
Emp. Form.:
C6H8N2O2S
Mol. Mass.:
172.205
SMILES:
Nc1ccc(cc1)S(N)(=O)=O