BDBM11390 2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide::2-(3-hydroxyphenyl)-3-(morpholin-4-ylmethyl)-1,1-dioxo-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::AL-6619::Compound 17p1
SMILES: NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1
InChI Key: InChIKey=PZLYYZPXSSNGJS-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.150 | -13.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
Alcon Research, Ltd. | Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ... | Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Concentration which produces 50% inhibition of human Carbonic anhydrase II | J Med Chem 45: 888-93 (2002) Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Concentration which produces 50% Inhibition of human Carbonic anhydrase IV | J Med Chem 45: 888-93 (2002) Article DOI: 10.1021/jm010163d BindingDB Entry DOI: 10.7270/Q2P84FN0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1.15 | n/a | n/a | n/a | n/a | 7.2 | 4 |
Alcon Research, Ltd. | Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy... | Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM11390 (2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Research, Ltd. | Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy... | Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0 | |||||||||||
More data for this Ligand-Target Pair |