BDBM50041033 (4S,6S)-4-Amino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE::4-Amino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::CHEMBL475::N-Desethyl Dorzolamide
SMILES: C[C@H]1C[C@H](N)c2cc(sc2S1(=O)=O)S(N)(=O)=O
InChI Key: InChIKey=HVURBRAECUMAHY-NJGYIYPDSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50041033 ((4S,6S)-4-Amino-6-methyl-7,7-dioxo-4,5,6,7-tetrahy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB PubMed | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II) | J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |