Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50334361
Substrate
n/a
Meas. Tech.
ChEMBL_1551384 (CHEMBL3762505)
Ki
9.0±n/a nM
Citation
 Lomelino, CL; Mahon, BP; McKenna, R; Carta, F; Supuran, CT Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111. Bioorg Med Chem 24:976-81 (2016) [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:
BDBM50334361
Synonyms:
4-(3-(2-isopropylphenyl)ureido)benzenesulfonamide | 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide | 4-{([(2'-Isopropylphenyl)amino]carbonyl)amino}benzenesulfonamide | CHEMBL1615280
Type:
Small organic molecule
Emp. Form.:
C16H19N3O3S
Mol. Mass.:
333.405
SMILES:
CC(C)c1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: