Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50154336
Substrate
n/a
Meas. Tech.
ChEMBL_302403 (CHEMBL875202)
Ki
42±n/a nM
Citation
 Innocenti, A; Casini, A; Alcaro, MC; Papini, AM; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: the first on-resin screening of a 4-sulfamoylphenylthiourea library. J Med Chem 47:5224-9 (2004) [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:
BDBM50154336
Synonyms:
(S)-3-Phenyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]-propionic acid methylcarbamoylmethyl with resin | CHEMBL362892
Type:
Small organic molecule
Emp. Form.:
C19H22N4O5S2
Mol. Mass.:
450.532
SMILES:
CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(cc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: