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Target
Carbonic anhydrase 1
Ligand
BDBM50154325
Substrate
n/a
Meas. Tech.
ChEMBL_302403 (CHEMBL875202)
Ki
27±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:
BDBM50154325
Synonyms:
(S)-4-Methylsulfanyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]-butyric acid | CHEMBL189346
Type:
Small organic molecule
Emp. Form.:
C12H17N3O4S3
Mol. Mass.:
363.476
SMILES:
CSCC[C@H](NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(O)=O
Structure:
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